SCHEMBL11249026

SCHEMBL11249026

CCC1(CC)COC(Cc2ccc(C)cc2C)(Cn2ccnc2)OC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HMOX1 P09601 3/20 0.38
CYP19A1 P11511 1/20 0.36

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
SCHEMBL11234052 0.91 HMOX1 (0.39) CYP11B1CYP11B2HMOX1
SCHEMBL11237109 0.90 POLB (0.41) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11238476 0.90 HMOX1 (0.45) HMOX1
SCHEMBL11235854 0.89 CYP11B1 (0.40) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11239727 0.87 HMOX1 (0.49) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11230104 0.86 CYP11B1 (0.49) CYP11B1CYP11B2HMOX1
SCHEMBL11247062 0.85 HMOX1 (0.45) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11240598 0.85 CYP19A1 (0.48) CYP11B1CYP11B2HMOX1CYP19A1
SCHEMBL11248555 0.83 CYP11B1 (0.52) CYP11B1CYP11B2HMOX1
SCHEMBL11235289 0.83 POLB (0.40) CYP11B1CYP11B2POLBCTDSP1TDP1

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