SCHEMBL11245940

SCHEMBL11245940

CCCC1(CCC)COC(CCn2ccnc2)(Cc2c(C)c(C)c(C)c(C)c2C)OC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
TBXAS1 P24557 2/20 0.37
PRKCI P41743 1/20 0.34
CYP4F2 P78329 1/20 0.33
HMOX1 P09601 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL11246523 0.92 ALDH1A1 (0.37) CYP11B1CYP11B2TBXAS1PRKCICYP4F2
SCHEMBL11241247 0.89 CYP11B1 (0.43) CYP11B1CYP11B2HMOX1
SCHEMBL11248376 0.88 CYP11B1 (0.46) CYP11B1CYP11B2TBXAS1KDM4EALDH1A1
SCHEMBL11260518 0.87 CYP11B1 (0.46) CYP11B1CYP11B2TBXAS1PRKCICYP4F2
SCHEMBL11243887 0.85 CYP11B1 (0.49) CYP11B1CYP11B2TBXAS1PRKCICYP4F2
SCHEMBL11235766 0.84 ALDH1A1 (0.37) CYP11B1CYP11B2TBXAS1PRKCICYP4F2
SCHEMBL11241360 0.84 CYP11B1 (0.45) CYP11B1CYP11B2TBXAS1HMOX1KDM4E
SCHEMBL11229193 0.84 CYP19A1 (0.45) CYP11B1CYP11B2HMOX1ALDH1A1
SCHEMBL11240528 0.83 CYP11B1 (0.47) CYP11B1CYP11B2TBXAS1PRKCICYP4F2
SCHEMBL11235305 0.83 CYP19A1 (0.42) CYP11B1CYP11B2TBXAS1HMOX1

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