SCHEMBL7076431

SCHEMBL7076431

COC(=O)c1ccccc1CSC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
LMNA P02545 2/20 0.59
TSHR P16473 1/20 0.49
HSD17B10 Q99714 3/20 0.47
CFTR P13569 1/20 0.47
HIF1A Q16665 1/20 0.47
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
TSPO P30536 2/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
CXCR2 P25025 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL8729973 0.83 ALDH1A1 (0.63) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL10395545 0.83 LMNA (0.52) ALDH1A1LMNATSHRHSD17B10CFTR
Hydrochloric Acid SCHEMBL30130145 0.81 IDO1 (0.53) ALDH1A1LMNATSHRHSD17B10CFTR
Bromide SCHEMBL2887381 0.81 LMNA (0.51) ALDH1A1LMNATSHRHSD17B10CFTR
Hydrochloric Acid SCHEMBL10742194 0.81 IDO1 (0.53) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL8304503 0.81 ALDH1A1 (0.51) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL15143214 0.80 HSD17B10 (0.67) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL14611610 0.80 MME (0.41) LMNAHTTCA1CA2CA9
SCHEMBL13808479 0.79 ALDH1A1 (0.62) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL31123647 0.79 L3MBTL1 (0.58) ALDH1A1LMNATSHRHSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US disclosed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US disclosed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP disclosed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO disclosed
CN-1171116-A N-substituted glycine derivatives as factor Xa inhibitors CORVAS INT INC (US) 1998-01-21 CN disclosed
EP-0801654-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1997-10-22 EP disclosed
WO-1996019493-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1996-06-27 WO disclosed