SCHEMBL4579616

SCHEMBL4579616

ICc1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.60
CYP3A4 P08684 5/20 0.58
SLC6A4 P31645 3/20 0.58
CYP1A2 P05177 2/20 0.58
MAPT P10636 1/20 0.58
SLC6A2 P23975 2/20 0.55
SLC6A3 Q01959 2/20 0.55
CYP2D6 P10635 2/20 0.55
CMA1 P23946 1/20 0.55
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
CYP2C19 P33261 1/20 0.53
MIF P14174 1/20 0.53
CALM1 P0DP23 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8225259 0.87 CYP2D6 (0.50) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL529821 0.84 TAAR1 (0.62) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL108087 0.82 TAAR1 (0.77) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL14532407 0.82 LMNA (0.53) TAAR1MAPTCYP2D6ALDH1A1GAA
SCHEMBL7357999 0.80 TAAR1 (0.62) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL108109 0.80 TAAR1 (0.62) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL16399861 0.79 TAAR1 (0.67) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL11399820 0.79 TAAR1 (0.56) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL11399822 0.79 TAAR1 (0.56) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL57649 0.78 TAAR1 (0.71) TAAR1CYP3A4SLC6A4CYP1A2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633470-B2 Method of producing a conjugated diene polymer, a modified conjugated diene polymer, and a vinyl cis-polybutadiene composition UBE INDUSTRIES, LTD. (JP) 2020-04-28 US disclosed
US-10508163-B2 Conjugated diene polymer and modified conjugated diene polymer produced using the same, rubber composition for tire, and rubber composition for rubber belt UBE INDUSTRIES, LTD. (JP) 2019-12-17 US disclosed
US-20190256628-A1 Method of Producing a Conjugated Diene Polymer, a Modified Conjugated Diene Polymer, and a Vinyl Cis-Polybutadiene Composition UBE INDUSTRIES, LTD. (JP) 2019-08-22 US disclosed
US-10053526-B2 Catalyst for conjugated diene polymerization, conjugated diene polymer, modified conjugated diene polymer, polybutadiene, and compositions comprising foregoing UBE INDUSTRIES, LTD. (JP) 2018-08-21 US disclosed
US-20180079844-A1 \"Conjugated Diene Polymer and Modified Conjugated Diene Polymer Produced Using the Same, Rubber Composition for Tire, And Rubber Composition for Rubber Belt\ UBE INDUSTRIES, LTD. (JP) 2018-03-22 US disclosed
EP-2975067-B1 CATALYST FOR USE IN POLYMERIZATION OF CONJUGATED DIENE, CONJUGATED DIENE POLYMER AND MODIFIED CONJUGATED DIENE POLYMER EACH PRODUCED USING SAID CATALYST, METHODS RESPECTIVELY FOR PRODUCING SAID POLYMERS, RUBBER COMPOSITION FOR TIRES, AND RUBBER COMPOSITION FOR RUBBER BELTS UBE INDUSTRIES (JP) 2017-10-04 EP disclosed
EP-2688911-B1 Biomarker discovery in complex biological fluid using bead or particle based libraries OPKO PHARMACEUTICALS LLC (US) 2017-08-02 EP disclosed
US-20170158786-A1 CATALYST FOR CONJUGATED DIENE POLYMERIZATION, CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, POLYBUTADIENE, AND COMPOSITIONS COMPRISING FOREGOING UBE INDUSTRIES, LTD. (JP) 2017-06-08 US disclosed
WO-2017050259-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2017-03-30 WO disclosed
WO-2017031041-A1 FUNCTIONALIZED AMINOBENZOBOROXOLES CHANNEL THERAPEUTICS, INC. (US) 2017-02-23 WO disclosed
CN-1050132-C Ginkgolide Derivatives SUNKYONG IND LTD (KR) 2000-03-08 CN disclosed
US-5935976-A Antiviral ethers of aspartate protease substrate isosteres NOVARTIS CORPORATION (US) 1999-08-10 US disclosed
CN-1218467-A Sulphur derivatives comprising amide bond, method for preparing same, use thereof as drugs, and pharmaceutical compositions containing such derivatives HOEST MARION RUSO S A (FR) 1999-06-02 CN disclosed
US-5807891-A RETROVIRUSES NOVARTIS AG (CH) 1998-09-15 US disclosed
US-5663200-A CARBAMOYL PEPTIDE DERIVATIVES AS VIRICIDES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
CN-1139435-A New ginkgolide derivatives and process for preparing them SUNKYONG IND LTD (KR) 1997-01-01 CN disclosed
EP-0737195-A1 NEW GINKGOLIDE DERIVATIVES AND A PROCESS FOR PREPARING THEM SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-10-16 EP disclosed
US-5541183-A RESPIRATORY SYSTEM DISORDERS, SKIN DISORDERS AND PLATELET ACTIVATING FACTOR ANTAGONIST SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-07-30 US disclosed
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP disclosed
WO-1995018131-A1 NEW GINKGOLIDE DERIVATIVES AND A PROCESS FOR PREPARING THEM SUNKYONG INDUSTRIES CO., LTD. (KR) 1995-07-06 WO disclosed