SCHEMBL11252203

SCHEMBL11252203

Cc1cc(C)cc(CC2(CCn3ccnc3)OCCCO2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
HMOX1 P09601 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL11242752 0.95 CYP11B1 (0.51) CYP11B1CYP11B2HMOX1KMT2AMEN1
SCHEMBL11250794 0.89 CYP11B1 (0.53) CYP11B1CYP11B2HMOX1KMT2A
SCHEMBL11243106 0.88 CYP19A1 (0.49) CYP11B1CYP11B2HMOX1ALDH1A1
SCHEMBL11246782 0.88 CYP11B1 (0.51) CYP11B1CYP11B2HMOX1
SCHEMBL11231027 0.87 CYP11B1 (0.50) CYP11B1CYP11B2HMOX1KMT2AMEN1
SCHEMBL11243207 0.87 CYP11B1 (0.48) CYP11B1CYP11B2HMOX1KMT2AMEN1
SCHEMBL11254885 0.85 CYP11B1 (0.46) CYP11B1CYP11B2HMOX1KMT2AMEN1
SCHEMBL11241360 0.84 CYP11B1 (0.45) CYP11B1CYP11B2HMOX1KMT2AMEN1
SCHEMBL11242726 0.83 CYP11B1 (0.55) CYP11B1CYP11B2HMOX1KMT2A
SCHEMBL11240528 0.82 CYP11B1 (0.47) CYP11B1CYP11B2HMOX1KMT2A

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