SCHEMBL11240947

SCHEMBL11240947

Cc1ccc(CCCC2(Cn3ccnc3)OCC(C)(C)CO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 4/20 0.54
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46

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
SCHEMBL11238440 0.93 HMOX1 (0.62) HMOX1
SCHEMBL11239949 0.90 HMOX1 (0.61) HMOX1
SCHEMBL11249611 0.90 HMOX1 (0.52) HMOX1
SCHEMBL11234923 0.90 HMOX1 (0.67) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11243782 0.89 HMOX1 (0.52) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11239283 0.88 HMOX1 (0.51) HMOX1
SCHEMBL11235423 0.87 HMOX1 (0.61) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11238076 0.86 CYP19A1 (0.50) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11239942 0.83 HMOX1 (0.49) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11253728 0.83 HMOX1 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed