SCHEMBL7433940

SCHEMBL7433940

COc1ccc(C(=O)O)cc1NC(=O)CCc1ccccc1CSC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 3/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 2/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL7430649 0.86 SELL (0.56) LTB4RSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL7442252 0.86 SELP (0.47) LTB4RHDAC1KMT2AMEN1AKR1C3
SCHEMBL7430609 0.85 NPC1 (0.46) LTB4RSMN1; SMN2POLBKMT2AMEN1
SCHEMBL7434116 0.85 LTB4R (0.67) LTB4RSMN1; SMN2POLBHDAC1HDAC8
SCHEMBL7429346 0.84 SELL (0.45) LTB4RPOLBKMT2AMEN1MAPT
SCHEMBL7439374 0.80 KMT2A (0.44) POLBKMT2AMEN1MAPTHPGD
SCHEMBL7435487 0.80 HDAC3 (0.49) SMN1; SMN2POLBHDAC1HDAC8HDAC6
SCHEMBL7432442 0.79 L3MBTL1 (0.44) POLBKMT2AMEN1MAPTHPGD
SCHEMBL7427426 0.79 LTB4R (0.39) LTB4RKMT2AMEN1MAPTAKR1C3
SCHEMBL7432797 0.79 SMN1; SMN2 (0.51) SMN1; SMN2POLBHDAC1HDAC8HDAC6

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
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed