SCHEMBL11258326

SCHEMBL11258326

Cc1cc(C)cc(CCC2(Cn3ccnc3)SCCS2)c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.51
CYP11B2 P19099 4/20 0.51
HMOX1 P09601 2/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL11262618 0.95 CYP11B1 (0.49) CYP11B1CYP11B2HMOX1KMT2ACYP19A1
SCHEMBL11264966 0.93 CYP11B1 (0.49) CYP11B1CYP11B2HMOX1KMT2ACYP19A1
SCHEMBL10247104 0.87 CYP19A1 (0.51) CYP11B1CYP11B2HMOX1CYP19A1
SCHEMBL11268467 0.87 CYP11B1 (0.54) CYP11B1CYP11B2KMT2ACYP19A1
SCHEMBL11268891 0.86 CYP11B1 (0.45) CYP11B1CYP11B2HMOX1KMT2A
SCHEMBL11260359 0.85 CYP11B1 (0.41) CYP11B1CYP11B2HMOX1
SCHEMBL11265820 0.84 CYP11B1 (0.46) CYP11B1CYP11B2HMOX1KMT2A
SCHEMBL11261911 0.83 CYP11B1 (0.40) CYP11B1CYP11B2KMT2ACYP19A1
SCHEMBL11265338 0.82 CYP19A1 (0.49) CYP11B1CYP11B2HMOX1CYP19A1
SCHEMBL11265311 0.82 HMOX1 (0.47) 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