SCHEMBL11270508

SCHEMBL11270508

CC(C)c1ccc(CC2(Cn3ccnc3)SCCS2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CYP19A1 P11511 3/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
HMOX1 P09601 3/20 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
SCHEMBL11258803 0.88 LMNA (0.48) LMNACYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL11256662 0.86 LMNA (0.39) LMNACYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL11256189 0.86 LMNA (0.44) LMNAHMOX1
SCHEMBL11270651 0.86 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11253824 0.86 QPCT (0.42) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11261576 0.86 CYP2A6 (0.55) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL11256462 0.85 LMNA (0.38) LMNACYP11B1CYP11B2CYP19A1CYP2A6
SCHEMBL11263483 0.84 HMOX1 (0.42) HMOX1
SCHEMBL11265939 0.83 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1HMOX1
SCHEMBL11270193 0.83 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1

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