SCHEMBL13639788

SCHEMBL13639788

COc1ccc2c(c1)CCC(C(CO)C(=O)O)C2=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.54
CYP26A1 O43174 3/20 0.54
CYP27A1 Q02318 3/20 0.51
CYP19A1 P11511 1/20 0.51
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
METAP1 P53582 2/20 0.43
ACHE P22303 4/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 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
SCHEMBL1372978 0.84 CYP24A1 (0.54) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL14061905 0.79 CYP24A1 (0.52) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL4622848 0.76 CYP24A1 (0.58) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL14159089 0.76 CYP24A1 (0.69) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL4621871 0.75 CYP24A1 (0.68) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL12148265 0.75 CYP24A1 (0.49) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL8921371 0.75 CYP24A1 (0.54) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL14061902 0.74 CYP24A1 (0.60) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL1400250 0.74 PPARA (0.62)
SCHEMBL1400312 0.74 PPARA (0.62)

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-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP disclosed