SCHEMBL11264747

SCHEMBL11264747

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HMOX1 P09601 3/20 0.35
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
CYP19A1 P11511 2/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11254266 0.90 LMNA (0.40) LMNACYP19A1SMN1; SMN2
SCHEMBL11256462 0.90 LMNA (0.38) LMNAHMOX1CYP11B1CYP11B2CYP19A1
SCHEMBL11265306 0.89 CYP2A6 (0.45) HMOX1CYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL11267566 0.89 QPCT (0.35) HMOX1CYP11B1CYP11B2CYP19A1
SCHEMBL11270475 0.88 CYP11B1 (0.45) HMOX1CYP11B1CYP11B2CYP19A1
SCHEMBL11256662 0.87 LMNA (0.39) LMNAHMOX1CYP11B1CYP11B2CYP19A1
SCHEMBL11259935 0.87 HMOX1 (0.38) HMOX1
SCHEMBL11255306 0.87 HMOX1 (0.44) HMOX1CYP11B1CYP11B2CYP19A1
SCHEMBL11266363 0.87 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1
SCHEMBL11261683 0.85 PLA2G4A (0.37) HMOX1CYP19A1

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