SCHEMBL11261323

SCHEMBL11261323

Cc1ccc(CCCC2(Cn3ccnc3)SCC(C)S2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HMOX1 P09601 4/20 0.42

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
SCHEMBL11260781 0.93 HMOX1 (0.46) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11264806 0.91 HMOX1 (0.42) HMOX1
SCHEMBL11261392 0.91 HMOX1 (0.42) HMOX1
SCHEMBL11270291 0.90 HMOX1 (0.51) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11270183 0.90 HMOX1 (0.53) HMOX1
SCHEMBL11258235 0.90 CYP1A2 (0.41) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11259960 0.89 CYP11B1 (0.44) CYP11B1CYP11B2HMOX1
SCHEMBL11266244 0.89 CYP3A4 (0.46) CYP19A1HMOX1
SCHEMBL11259093 0.89 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11260173 0.88 HMOX1 (0.43) HMOX1

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