SCHEMBL8323133

SCHEMBL8323133

Cc1sc(C(=O)O)c2c1-c1sc(C(=O)O)cc1CC2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.60
KDM4E B2RXH2 3/20 0.49
GLA P06280 1/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
DAO P14920 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 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
SCHEMBL6990354 0.83 CCNC (0.64) NOTUMKDM4EGLAALDH1A1LMNA
SCHEMBL6993293 0.77 KDM4E (0.58) NOTUMKDM4EGLAALDH1A1LMNA
SCHEMBL20597562 0.73 NOTUM (0.56) NOTUMKDM4EGLAALDH1A1LMNA
SCHEMBL5104506 0.72 NOTUM (0.76) NOTUMKDM4EGLAALDH1A1LMNA
SCHEMBL20597473 0.71 NOTUM (0.71) NOTUMKDM4EGLAALDH1A1LMNA
SCHEMBL20597497 0.71 NOTUM (0.60) NOTUMKDM4EGLAALDH1A1LMNA
SCHEMBL20597529 0.70 NOTUM (1.00) NOTUMKDM4EGLAALDH1A1LMNA
SCHEMBL20597260 0.70 NOTUM (1.00) NOTUMKDM4EGLAALDH1A1LMNA
SCHEMBL20597756 0.70 NOTUM (0.76) NOTUMKDM4EGLAALDH1A1LMNA
SCHEMBL20597371 0.70 NOTUM (0.76) NOTUMKDM4EGLAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931074-A1 CONDENSED 4,5,6,7-TETRAHYDROBENZO C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION Takeda Chemical Industries, Ltd. (JP) 1999-07-28 EP disclosed
WO-1998009958-A1 CONDENSED 4,5,6,7-TETRAHYDROBENZO[C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-12 WO disclosed