SCHEMBL11241264

SCHEMBL11241264

c1ccc(C2(CCn3ccnc3)OCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
TBXAS1 P24557 2/20 0.49
CYP19A1 P11511 3/20 0.47
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
QPCT Q16769 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
QPCTL Q9NXS2 1/20 0.44
LTA4H P09960 1/20 0.43
HMOX1 P09601 1/20 0.42

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
SCHEMBL11229655 0.94 TBXAS1 (0.47) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL11259363 0.92 CYP19A1 (0.49) CYP11B1CYP11B2TBXAS1CYP19A1
SCHEMBL11241969 0.91 CYP19A1 (0.48) CYP11B1CYP11B2TBXAS1CYP19A1
SCHEMBL11247642 0.87 CYP19A1 (0.47) CYP11B1CYP11B2TBXAS1CYP19A1
SCHEMBL11253540 0.87 TBXAS1 (0.45) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL11231289 0.86 TP53 (0.48) CYP11B1CYP11B2CYP19A1QPCTHMOX1
SCHEMBL11257899 0.86 QPCT (0.47) CYP11B1CYP11B2CYP19A1POLBQPCT
SCHEMBL11250956 0.86 CYP19A1 (0.49) CYP11B1CYP11B2CYP19A1POLBQPCT
Oxalic Acid SCHEMBL11236965 0.86 TBXAS1 (0.48) TBXAS1CYP19A1
SCHEMBL11248543 0.85 CYP19A1 (0.46) CYP11B1CYP11B2TBXAS1CYP19A1

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 claimed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed