SCHEMBL7962810

SCHEMBL7962810

CCC(Oc1ccc2c(c1)CCc1sc(S)nc1-2)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
TP53 P04637 3/20 0.47
ADORA1 P30542 1/20 0.46
FBP1 P09467 1/20 0.45
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HPGD P15428 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.43
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
ALOX5 P09917 2/20 0.43
PTGES O14684 1/20 0.43

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
SCHEMBL7962751 0.91 MAPT (0.46) MAPTSMN1; SMN2TP53FBP1ALDH1A1
SCHEMBL7976497 0.90 MAPT (0.47) MAPTSMN1; SMN2TP53ADORA1ALDH1A1
SCHEMBL7528931 0.80 FBP1 (0.54) MAPTSMN1; SMN2TP53ADORA1FBP1
SCHEMBL7976456 0.77 PPARA (0.39) MAPTSMN1; SMN2TP53ADORA1KMT2A
SCHEMBL7962725 0.76 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2APPARGPPARA
SCHEMBL7972777 0.72 SMN1; SMN2 (0.56) SMN1; SMN2PPARA
SCHEMBL7974210 0.72 ADORA1 (0.41) MAPTSMN1; SMN2TP53ADORA1MEN1
SCHEMBL7532270 0.70 FBP1 (0.54) MAPTTP53FBP1ALDH1A1KDM4E
SCHEMBL7520588 0.69 HSD17B10 (0.52) MAPTSMN1; SMN2TP53ADORA1FBP1
SCHEMBL7962734 0.68 SMN1; SMN2 (0.48) SMN1; SMN2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 WO disclosed