SCHEMBL11270475

SCHEMBL11270475

CCC1CSC(Cc2ccc(C)cc2)(Cn2ccnc2)S1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
CYP19A1 P11511 1/20 0.45
QPCT Q16769 1/20 0.35
HMOX1 P09601 3/20 0.34
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11267566 0.92 QPCT (0.35) CYP11B1CYP11B2CYP19A1QPCTHMOX1
SCHEMBL11259935 0.90 HMOX1 (0.38) HMOX1
SCHEMBL11265306 0.90 CYP2A6 (0.45) CYP11B1CYP11B2CYP19A1HMOX1
SCHEMBL11255306 0.90 HMOX1 (0.44) CYP11B1CYP11B2CYP19A1HMOX1
SCHEMBL11266363 0.90 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1QPCTPOLB
SCHEMBL11273780 0.89 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1QPCTHMOX1
SCHEMBL11261691 0.89 CYP19A1 (0.43) CYP11B1CYP11B2CYP19A1HMOX1
SCHEMBL11261780 0.89 CYP19A1 (0.43) CYP11B1CYP11B2CYP19A1QPCTPOLB
SCHEMBL11261989 0.89 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1HMOX1POLB
SCHEMBL11261683 0.88 PLA2G4A (0.37) CYP19A1HMOX1

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-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed