SCHEMBL11276740

SCHEMBL11276740

Cc1ccccc1CCC(CCc1ccccc1)Cn1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.56
CYP11B2 P19099 2/20 0.56
CYP19A1 P11511 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
TBXAS1 P24557 1/20 0.47
QPCT Q16769 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
QPCTL Q9NXS2 1/20 0.47
IDO1 P14902 1/20 0.45

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
SCHEMBL11285718 0.93 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11267370 0.91 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL11279219 0.90 ALDH1A1 (0.54) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11286350 0.89 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL11274355 0.89 CYP19A1 (0.57) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL11276284 0.88 ALDH1A1 (0.52) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL11275481 0.87 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL11284437 0.86 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1POLBIDO1
SCHEMBL11282904 0.85 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL11278579 0.85 CYP1A2 (0.52) CYP11B1CYP11B2CYP19A1CYP1A2POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064244-A1 Spermicidal 1-bis(arylalkyl)alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-11-10 EP disclosed