SCHEMBL9254625

SCHEMBL9254625

CC(C)(C(=O)N1CCC(O)C1)S(=O)(=O)CC(Cc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.41
CYP1A2 P05177 1/20 0.40
RORC P51449 4/20 0.39
CPA3 P15088 3/20 0.38
GHSR Q92847 1/20 0.37
HPGD P15428 1/20 0.37
CPA1 P15085 2/20 0.36
CPB1 P15086 1/20 0.36
CPB2 Q96IY4 1/20 0.36
POLB P06746 1/20 0.36
ADORA2B P29275 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9254630 1.00 FOLH1 (0.41) FOLH1CYP1A2RORCCPA3GHSR
SCHEMBL9262360 0.94 CYP1A2 (0.41) FOLH1CYP1A2RORCCPA3HPGD
SCHEMBL9257570 0.87 CYP1A2 (0.43) FOLH1CYP1A2CPA3CPA1CPB1
SCHEMBL9258861 0.82 SMN1; SMN2 (0.41) GHSRNPC1RAB9AL3MBTL1
SCHEMBL9287474 0.82 HSD17B10 (0.50) FOLH1CYP1A2CPA3CPA1CPB1
SCHEMBL9260415 0.82 HSD17B10 (0.50) FOLH1CYP1A2CPA3CPA1CPB1
SCHEMBL9263093 0.82 KMT2A (0.52) FOLH1CYP1A2CPA3HPGDCPA1
SCHEMBL9263089 0.82 KMT2A (0.52) FOLH1CYP1A2CPA3HPGDCPA1
SCHEMBL7163448 0.81 SMN1; SMN2 (0.48) FOLH1CYP1A2CPA3CPA1CPB1
SCHEMBL9260958 0.81 CYP1A2 (0.42) FOLH1CYP1A2CPA3CPA1CPB1

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
US-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed