SCHEMBL95488

SCHEMBL95488

[CH2]CCCSc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
MAPK1 P28482 1/20 0.64
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
FFAR1 O14842 1/20 0.41

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
SCHEMBL97636 0.93 ALDH1A1 (0.61) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL5144121 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL5145617 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL16893772 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL95941 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL16893942 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL5077128 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL16893559 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL16893795 0.87 ALDH1A1 (0.48) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL73350 0.85 ALDH1A1 (0.70) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957314-A Compound for film packaging, composition, packaging film and film packaging structure 吉林奥来德光电材料股份有限公司 2022-08-30 CN claimed
EP-3428202-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM ExxonMobil Chemical Patents Inc. (US) 2019-01-16 EP claimed
EP-2984111-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM ExxonMobil Chemical Patents Inc. (US) 2016-02-17 EP claimed
US-20140316085-A1 Process of Producing Polyolefins Using Metallocene Polymerization Catalysts and Copolymers Therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2014-10-23 US claimed
WO-2014169017-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-10-16 WO claimed
JP-2011528028-A 2011-11-10 JP claimed
WO-2010007248-A2 NOVEL TRICYCLIC DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2010-01-21 WO claimed
EP-1341791-A2 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-10 EP claimed
WO-2002046192-A2 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO claimed
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP claimed
US-5120849-A Reacting cyclic imidoether with aminoalcohol BASF AKTIENGESELLSCHAFT (DE) 1992-06-09 US claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
CN-114685551-B Compound for packaging film, composition and packaging film 吉林奥来德光电材料股份有限公司 2023-12-26 CN disclosed
US-20230279169-A1 HIGH REFRACTIVE INDEX, HIGH ABBE COMPOSITIONS Johnson & Johnson Surgical Vision, Inc. 2023-09-07 US disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed