SCHEMBL7429412

SCHEMBL7429412

Cc1c(NC(=O)CCc2ccccc2CSC(=O)C(C)C)cccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELP P16109 1/20 0.54
SELE P16581 1/20 0.54
POLB P06746 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HCAR2 Q8TDS4 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C8 P10632 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL7435457 0.89 SELP (0.56) SELPSELEPOLBNPC1RAB9A
SCHEMBL7430180 0.89 SELP (0.51) SELPSELEPOLBNPC1RAB9A
SCHEMBL7437076 0.87 SELP (0.54) SELPSELEPOLBNPC1RAB9A
SCHEMBL7438805 0.87 SELP (0.54) SELPSELEPOLBNPC1RAB9A
SCHEMBL7429666 0.86 SELP (0.53) SELPSELEPOLBNPC1RAB9A
SCHEMBL7440627 0.85 SELP (0.52) SELPSELEPOLBNPC1RAB9A
SCHEMBL7425861 0.82 SELP (0.60) SELPSELEPOLBNPC1RAB9A
SCHEMBL7439282 0.79 KMT2A (0.53) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7433330 0.76 SELP (0.43) SELPSELEPOLBNPC1RAB9A
SCHEMBL14015953 0.74 SELP (0.69) SELPSELEPOLBNPC1RAB9A

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