SCHEMBL17420765

SCHEMBL17420765

COC(I)(OC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
CES1 P23141 1/20 0.42
KCNN4 O15554 5/20 0.41
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 2/20 0.38
CA4 P22748 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL20752423 0.79 MAPK1 (0.44) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL17420728 0.73 ALDH1A1 (0.41) MAPK1KCNN4ALDH1A1ALOX15TAAR1
SCHEMBL240092 0.72 MAPK1 (0.48) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL1264373 0.72 MAPK1 (0.48) MAPK1CES1KCNN4ALDH1A1ALOX15
Methoxytriphenylmethane SCHEMBL9103 0.72 MAPK1 (0.48) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL1659349 0.72 MAPK1 (0.48) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL487231 0.72 MAPK1 (0.48) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL11034971 0.70 MAPK1 (0.46) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL3844071 0.70 MAPK1 (0.52) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL42639 0.70 MAPK1 (0.67) MAPK1CES1KCNN4ALDH1A1ALOX15

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 9 patents. 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
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
EP-2975067-A1 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, Ltd. (JP) 2016-01-20 EP disclosed
US-20160009835-A1 Catalyst for Conjugated Diene Polymerization, Conjugated Diene Polymer and Modified Conjugated Diene Polymer Produced Using the Same, Production Methods Thereof, Rubber Composition for Tire, and Rubber Composition for Rubber Belt UBE INDUSTRIES, LTD. (JP) 2016-01-14 US disclosed