SCHEMBL6787397

SCHEMBL6787397

CC#CCOc1ccc(SC(CC)(C(=O)O)c2ccc(-c3cccs3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.39
FFAR1 O14842 3/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
PSMB5 P28074 2/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
MMP13 P45452 3/20 0.36
MMP9 P14780 2/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 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
SCHEMBL6785653 0.85 ADAM17 (0.49) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6786027 0.84 ADAM17 (0.43) ADAM17PPARAMMP13MMP9MMP1
SCHEMBL6782624 0.83 ADAM17 (0.49) ADAM17MMP13MMP9KDM4EALDH1A1
SCHEMBL6655628 0.82 ADAM17 (0.42) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6782404 0.82 ADAM17 (0.44) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6787530 0.82 ALDH1A1 (0.44) ADAM17MMP13MMP9KDM4EALDH1A1
SCHEMBL6782115 0.82 FFAR1 (0.37) FFAR1PPARGPPARA
SCHEMBL6785229 0.79 ADAM17 (0.44) ADAM17PPARAMMP13MMP9MMP1
SCHEMBL6788196 0.79 ADAM17 (0.41) ADAM17FFAR1MMP13MMP9ALDH1A1
SCHEMBL6786265 0.79 ADAM17 (0.44) ADAM17MMP13MMP9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed