SCHEMBL11245667

SCHEMBL11245667

Cc1cc(C)c(C)c(CC2(CCn3ccnc3)OCC(C)O2)c1C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.49
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35

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
SCHEMBL11237436 0.92 HMOX1 (0.52) HMOX1CYP11B1CYP11B2
SCHEMBL11233927 0.89 HMOX1 (0.49) HMOX1KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL11233061 0.89 HMOX1 (0.56) HMOX1
SCHEMBL11239249 0.84 HMOX1 (0.41) HMOX1KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL11243031 0.83 HMOX1 (0.53) HMOX1CYP11B1CYP11B2
SCHEMBL11235610 0.83 HMOX1 (0.66) HMOX1
SCHEMBL11240321 0.82 HMOX1 (0.52) HMOX1
SCHEMBL11246479 0.82 ALDH1A1 (0.39) HMOX1KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL11241840 0.81 HMOX1 (0.58) HMOX1CYP11B1CYP11B2
SCHEMBL11238541 0.81 ALDH1A1 (0.39) KDM4EALDH1A1CYP11B1CYP11B2

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