SCHEMBL11248495

SCHEMBL11248495

CCC1(CC)COC(Cc2ccccc2)(Cn2ccnc2)OC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
TBXAS1 P24557 1/20 0.44
QPCT Q16769 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
QPCTL Q9NXS2 1/20 0.44
HMOX1 P09601 4/20 0.43
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL11238430 0.91 HMOX1 (0.44) CYP1A2CYP3A4CYP2D6POLBMAPT
SCHEMBL11240598 0.89 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11244466 0.88 HMOX1 (0.58) HMOX1
SCHEMBL11242485 0.88 CYP19A1 (0.43) CYP1A2CYP3A4CYP2D6POLBMAPT
SCHEMBL11246847 0.88 HMOX1 (0.54) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11237614 0.88 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6POLBMAPT
SCHEMBL11248555 0.88 CYP11B1 (0.52) CYP1A2CYP3A4CYP2D6CYP11B1CYP11B2
SCHEMBL11229630 0.86 CYP19A1 (0.41) CYP1A2CYP3A4CYP2D6POLBMAPT
SCHEMBL11241253 0.86 HMOX1 (0.50) HMOX1
SCHEMBL11245900 0.86 HMOX1 (0.42) POLBHMOX1

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