SCHEMBL11242485

SCHEMBL11242485

CCC1(CC)COC(CCn2ccnc2)(Cc2ccccc2)OC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
TBXAS1 P24557 2/20 0.43
QPCT Q16769 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
LTA4H P09960 1/20 0.39
HMOX1 P09601 2/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11229630 0.93 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL11235305 0.92 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL11246195 0.90 HMOX1 (0.46) HMOX1
SCHEMBL11249457 0.90 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2QPCTHMOX1
SCHEMBL11252118 0.89 HMOX1 (0.47) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11235149 0.89 HMOX1 (0.50) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11248495 0.88 CYP1A2 (0.44) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL11234049 0.88 CYP19A1 (0.44) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL11248612 0.88 CYP11B1 (0.50) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL11228678 0.87 MEN1 (0.46) CYP19A1CYP11B1CYP1A2CYP3A4CYP2D6

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