SCHEMBL7362446

SCHEMBL7362446

COCCOc1cc(C(=O)O)ccc1SC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
TSHR P16473 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HTT P42858 2/20 0.44
AR P10275 1/20 0.43
LPAR1 Q92633 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PTGER4 P35408 1/20 0.42
MAPT P10636 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 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
SCHEMBL7359682 0.87 TAS1R3 (0.40) POLBCASP6HTTLPAR1ALDH1A1
SCHEMBL7351090 0.87 MAPT (0.47) CA12CA1CA2CA7CA9
SCHEMBL7357387 0.86 POLB (0.51) POLBCASP6TSHRCA12CA1
SCHEMBL1436418 0.83 POLB (0.64) POLBCASP6TSHRCA12CA1
SCHEMBL7362514 0.82 MAPK1 (0.43) POLBCASP6TSHRCA12CA1
SCHEMBL881352 0.81 ALDH1A1 (0.52) POLBCASP6TSHRCA12CA1
SCHEMBL21882581 0.81 CA1 (0.65) TSHRCA12CA1CA2CA4
SCHEMBL23792950 0.80 TSHR (0.50) POLBCASP6TSHRCA12CA1
SCHEMBL20982590 0.80 CA12 (0.50) POLBCASP6TSHRCA12CA1
SCHEMBL6939685 0.80 TSHR (0.71) POLBCASP6TSHRCA12CA1

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
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed