SCHEMBL11237003

SCHEMBL11237003

Cc1cc(C)c(CCC2(Cn3ccnc3)OCCCO2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 4/20 0.53
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50

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
SCHEMBL11240829 0.95 HMOX1 (0.58) HMOX1CYP11B1CYP11B2
SCHEMBL11244670 0.89 HMOX1 (0.60) HMOX1CYP11B1CYP11B2
SCHEMBL11241365 0.88 HMOX1 (0.53) HMOX1
SCHEMBL11233705 0.88 CYP11B1 (0.52) HMOX1CYP11B1CYP11B2
SCHEMBL11229057 0.87 CYP11B1 (0.49) HMOX1CYP11B1CYP11B2
SCHEMBL11254702 0.86 HMOX1 (0.56) HMOX1CYP11B1CYP11B2
SCHEMBL11248948 0.85 HMOX1 (0.53) HMOX1
SCHEMBL11241813 0.85 CYP11B1 (0.47) HMOX1CYP11B1CYP11B2
SCHEMBL11237242 0.85 HMOX1 (0.53) HMOX1CYP11B1CYP11B2
SCHEMBL11238697 0.84 CYP11B1 (0.46) HMOX1CYP11B1CYP11B2

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