SCHEMBL11247280

SCHEMBL11247280

Cc1ccc(CC2(CCn3ccnc3)OCCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
HMOX1 P09601 3/20 0.50
QPCT Q16769 1/20 0.45
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11243106 0.95 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2HMOX1QPCT
SCHEMBL11242613 0.93 QPCT (0.49) CYP19A1CYP11B1CYP11B2HMOX1QPCT
SCHEMBL11239107 0.89 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2HMOX1QPCT
SCHEMBL11246238 0.89 HMOX1 (0.61) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11231019 0.88 QPCT (0.47) CYP19A1CYP11B1CYP11B2HMOX1QPCT
SCHEMBL11242752 0.87 CYP11B1 (0.51) CYP11B1CYP11B2HMOX1ALDH1A1
SCHEMBL11243731 0.87 HMOX1 (0.66) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11238051 0.87 CYP2A6 (0.52) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11249457 0.87 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2HMOX1QPCT
SCHEMBL11249736 0.87 HMOX1 (0.49) CYP19A1CYP11B1CYP11B2HMOX1QPCT

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 3 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 claimed
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