SCHEMBL7433330

SCHEMBL7433330

CC(=O)SCc1ccccc1CCC(=O)Nc1cc(C)cc(C(=O)O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELP P16109 1/20 0.43
SELE P16581 1/20 0.43
RAB9A P51151 6/20 0.41
HCAR2 Q8TDS4 8/20 0.41
NPC1 O15118 5/20 0.40
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM6B O15054 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37

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 0.87 SELP (0.56) SELPSELERAB9AHCAR2NPC1
SCHEMBL7436413 0.84 SELP (0.46) SELPSELERAB9AHCAR2NPC1
SCHEMBL7439282 0.84 KMT2A (0.53) RAB9AHCAR2NPC1CYP2C8CYP2C9
SCHEMBL7433961 0.82 ABCC1 (0.47) RAB9AHCAR2NPC1ALDH1A1KDM4E
SCHEMBL7428881 0.80 KDM4E (0.56) RAB9AHCAR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7431963 0.80 KDM4E (0.54) RAB9AHCAR2NPC1POLBALDH1A1
SCHEMBL7431684 0.79 GAA (0.52) RAB9ANPC1POLBLMNAMEN1
SCHEMBL7430649 0.79 SELL (0.56) SELPSELERAB9ANPC1ALDH1A1
SCHEMBL7429346 0.79 SELL (0.45) SELPSELERAB9ANPC1CYP2C9
SCHEMBL7437982 0.79 POLB (0.44) SELPSELERAB9ANPC1POLB

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