SCHEMBL8159828

SCHEMBL8159828

COc1ccc2c(c1)CCC(Cc1ccc(Cl)cc1)C2=O

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 8/20 0.78
CYP24A1 Q07973 6/20 0.78
CYP19A1 P11511 4/20 0.74
CYP27A1 Q02318 3/20 0.64
ACHE P22303 2/20 0.62
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL7245357 0.89 CYP24A1 (0.80) CYP26A1CYP24A1CYP19A1CYP27A1ACHE
SCHEMBL5582493 0.88 CYP19A1 (0.73) CYP26A1CYP24A1CYP19A1CYP27A1ACHE
SCHEMBL30462610 0.88 CYP19A1 (0.73) CYP26A1CYP24A1CYP19A1CYP27A1ACHE
SCHEMBL8203668 0.86 CYP26A1 (0.79) CYP26A1CYP24A1CYP19A1CYP27A1ACHE
SCHEMBL6827615 0.85 CYP19A1 (1.00) CYP26A1CYP24A1CYP19A1CYP27A1
SCHEMBL8938852 0.84 CYP24A1 (0.73) CYP26A1CYP24A1CYP19A1CYP27A1ACHE
SCHEMBL2877992 0.84 CYP26A1 (0.76) CYP26A1CYP24A1CYP19A1CYP27A1ACHE
SCHEMBL630276 0.80 CYP24A1 (0.70) CYP26A1CYP24A1CYP19A1CYP27A1DRD2
SCHEMBL29679457 0.80 CYP24A1 (0.66) CYP26A1CYP24A1CYP19A1CYP27A1SIGMAR1
SCHEMBL7244157 0.80 CYP24A1 (0.66) CYP26A1CYP24A1CYP19A1CYP27A1SIGMAR1

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-1044181-A1 BENZYL AND BENZYLIDENE TETRALINS AND DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2000-10-18 EP disclosed
WO-1999035115-A1 BENZYL AND BENZYLIDENE TETRALINS AND DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1999-07-15 WO disclosed