SCHEMBL8821371

SCHEMBL8821371

COc1ccc2c(c1)CCC2c1ccc(CCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.45
GRIN2B Q13224 5/20 0.45
GRIN1 Q05586 2/20 0.45
CYP19A1 P11511 1/20 0.44
CYP26A1 O43174 2/20 0.43
SLC6A9 P48067 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PPARD Q03181 1/20 0.41
NPY5R Q15761 1/20 0.41
CYP24A1 Q07973 1/20 0.40

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
SCHEMBL8534540 0.87 CYP19A1 (0.44) GID4GRIN2BGRIN1CYP19A1CYP26A1
SCHEMBL5709325 0.80 CA1 (0.54) GID4CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL10452227 0.79 GRIN2B (0.43) GRIN2BGRIN1PPARDNPY5R
SCHEMBL8530528 0.78 CYP19A1 (0.45) GID4GRIN2BGRIN1CYP19A1SLC6A9
SCHEMBL8530718 0.78 MTNR1A (0.45) GID4CYP19A1SLC6A9SLC6A2SLC6A4
SCHEMBL10806447 0.78 GRIN2B (0.43) GRIN2BGRIN1PPARDNPY5R
SCHEMBL8536147 0.76 HAO1 (0.47) GID4
SCHEMBL8527427 0.76 CYP19A1 (0.43) GID4CYP19A1SLC6A9SLC6A2SLC6A4
SCHEMBL8530379 0.75 CYP19A1 (0.45) GID4CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL9517096 0.72 SRD5A1 (0.45) CYP19A1SLC6A9PPARDNPY5R

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
WO-1997016413-A9 ARYL ACRYLICS FOR USE AS FUNGICIDE 1997-08-14 WO disclosed