SCHEMBL6680392

SCHEMBL6680392

CCCCCCCCc1ccccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.53
TSHR P16473 3/20 0.45
HSD17B10 Q99714 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 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
SCHEMBL27643385 1.00 LIPG (0.53) LIPGTSHRHSD17B10NR1H2NR1H3
SCHEMBL6956286 1.00 LIPG (0.53) LIPGTSHRHSD17B10NR1H2NR1H3
SCHEMBL3629719 1.00 LIPG (0.53) LIPGTSHRHSD17B10NR1H2NR1H3
SCHEMBL6685317 1.00 LIPG (0.53) LIPGTSHRHSD17B10NR1H2NR1H3
SCHEMBL3164765 1.00 LIPG (0.53) LIPGTSHRHSD17B10NR1H2NR1H3
SCHEMBL978626 0.98 LIPG (0.50) LIPGTSHRHSD17B10NR1H2NR1H3
SCHEMBL1726412 0.92 TSHR (0.45) LIPGTSHR
SCHEMBL28248440 0.88 CYP19A1 (0.46) TSHRHSD17B10
SCHEMBL1641623 0.86 LIPG (0.47) LIPGTSHRHSD17B10NR1H2NR1H3
SCHEMBL15063660 0.86 LIPG (0.47) LIPGTSHRHSD17B10NR1H2NR1H3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116887827-A Compounds and methods for modulating FXR 拓臻制药公司 2023-10-13 CN disclosed
CN-112705278-B Microarray bottom plate and preparation method thereof 华为技术有限公司 2022-08-19 CN disclosed
CN-112705278-A Microarray bottom plate and preparation method thereof 华为技术有限公司 2021-04-27 CN disclosed
CN-112442101-A Method and apparatus for synthesizing oligonucleotide 华为技术有限公司 2021-03-05 CN disclosed
CN-107074028-B Pneumatic tire, and apparatus and method for manufacturing pneumatic tire 横滨橡胶株式会社 2020-03-27 CN disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed
EP-0090183-A1 Polyhalogenated aromatic compounds MERCK PATENT GmbH (DE) 1983-10-05 EP disclosed