SCHEMBL11243887

SCHEMBL11243887

Cc1c(C)c(C)c(CC2(CCn3ccnc3)OCCO2)c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
HMOX1 P09601 2/20 0.43
PRKCI P41743 1/20 0.38
TBXAS1 P24557 2/20 0.37
CYP4F2 P78329 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL11240528 0.95 CYP11B1 (0.47) CYP11B1CYP11B2HMOX1PRKCITBXAS1
SCHEMBL11239249 0.91 HMOX1 (0.41) CYP11B1CYP11B2HMOX1KMT2A
SCHEMBL11260518 0.88 CYP11B1 (0.46) CYP11B1CYP11B2HMOX1PRKCITBXAS1
SCHEMBL11246479 0.86 ALDH1A1 (0.39) CYP11B1CYP11B2HMOX1KMT2A
SCHEMBL11252757 0.86 CYP11B1 (0.51) CYP11B1CYP11B2HMOX1
SCHEMBL11233199 0.86 CYP11B1 (0.52) CYP11B1CYP11B2HMOX1KMT2A
SCHEMBL11245940 0.85 CYP11B1 (0.43) CYP11B1CYP11B2HMOX1PRKCITBXAS1
SCHEMBL11237436 0.83 HMOX1 (0.52) CYP11B1CYP11B2HMOX1PRKCI
SCHEMBL11242752 0.82 CYP11B1 (0.51) CYP11B1CYP11B2HMOX1KMT2A
SCHEMBL11247280 0.82 CYP19A1 (0.51) CYP11B1CYP11B2HMOX1

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