SCHEMBL3946468

SCHEMBL3946468

O=C(O)C#Cc1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
DAO P14920 1/20 0.43
GRM5 P41594 2/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
HPGDS O60760 1/20 0.38
GSK3B P49841 1/20 0.38
PIN1 Q13526 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL18104962 0.85 FFAR1 (0.46) FFAR1DAOGRM5RAB9ANPC1
SCHEMBL1159454 0.82 GRM5 (0.46) FFAR1DAOGRM5RAB9ANPC1
SCHEMBL8022360 0.82 FFAR1 (0.44) FFAR1DAOGRM5RAB9ANPC1
SCHEMBL7202747 0.81 HSP90AA1 (0.49) FFAR1DAOGRM5RAB9ANPC1
SCHEMBL28454253 0.79 RAB9A (0.50) FFAR1DAOGRM5RAB9ANPC1
SCHEMBL28502889 0.77 FFAR1 (0.44) FFAR1DAOGRM5RAB9ANPC1
SCHEMBL20089251 0.77 GRM5 (0.42) FFAR1DAOGRM5RAB9ANPC1
SCHEMBL28824697 0.77 FFAR1 (0.48) FFAR1RAB9ANPC1ALDH1A1LMNA
SCHEMBL2491796 0.77 GRM5 (0.55) FFAR1DAOGRM5RAB9ANPC1
SCHEMBL7205479 0.76 VCP (0.44) FFAR1RAB9ANPC1ALDH1A1LMNA

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
CN-100345827-C Bicyclic aromatic compound CT INTERNAT DE RSEARCHES DERMA (FR) 2007-10-31 CN claimed
CN-1443756-A Bicyclic aromatic compound CT INTERNAT DE RSEARCHES DERMA (FR) 2003-09-24 CN claimed
CN-1190394-A bicyclic aromatic compound CIRD GALDERMA (FR) 1998-08-12 CN claimed
CN-116675599-A Novel method for synthesizing phenylpropionic acid 大连理工大学 2023-09-01 CN disclosed
CN-108404983-B Preparation and application of ordered mesoporous phenolic resin polymer supported silver catalyst 华东师范大学 2020-08-04 CN disclosed
CN-106946682-B A kind of preparation method of propine acid compounds 大连理工大学 2019-09-27 CN disclosed
CN-106946682-A A kind of preparation method of propine acid compounds 大连理工大学 2017-07-14 CN disclosed
CN-105481806-A Synthetic method and application of five-membered ring compound containing sulfone group UNIV SOUTH CHINA TECH 2016-04-13 CN disclosed
WO-2009023160-A2 NOVEL INHIBITORS OF BACTERIAL SORTASE ENZYMES AND METHODS OF USING THE SAME THE UAB RESEARCH FOUNDATION (US) 2009-02-19 WO disclosed