SCHEMBL8530718

SCHEMBL8530718

COc1ccc2c(c1)CCC2c1ccc(C(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.45
MTNR1B P49286 2/20 0.45
CYP19A1 P11511 1/20 0.45
SLC6A9 P48067 1/20 0.45
PPARD Q03181 2/20 0.44
SRD5A1 P18405 2/20 0.43
GID4 Q8IVV7 1/20 0.43
ESR1 P03372 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NQO2 P16083 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
SCHEMBL8527427 0.85 CYP19A1 (0.43) MTNR1AMTNR1BCYP19A1SLC6A9SRD5A1
SCHEMBL5709325 0.81 CA1 (0.54) CYP19A1SRD5A1GID4SLC6A2SLC6A4
SCHEMBL8530528 0.79 CYP19A1 (0.45) CYP19A1SLC6A9SRD5A1GID4SLC6A2
SCHEMBL8821371 0.78 GID4 (0.45) CYP19A1SLC6A9PPARDGID4SLC6A2
SCHEMBL7459424 0.77 HAO1 (0.53) GID4KMT2A
SCHEMBL8530379 0.76 CYP19A1 (0.45) CYP19A1SRD5A1GID4SLC6A2SLC6A4
SCHEMBL6244357 0.76 SLC6A9 (0.49) MTNR1AMTNR1BCYP19A1SLC6A9PPARD
SCHEMBL8534540 0.75 CYP19A1 (0.44) CYP19A1SLC6A9SRD5A1GID4SLC6A2
SCHEMBL19002290 0.75 MTNR1A (0.51) MTNR1AMTNR1BCYP19A1SLC6A9PPARD
SCHEMBL10596034 0.73 CYP24A1 (0.52) CYP19A1TAS2R14KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877730-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1998-11-18 EP disclosed
US-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US disclosed
WO-1997016413-A9 ARYL ACRYLICS FOR USE AS FUNGICIDE 1997-08-14 WO disclosed
WO-1997016413-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1997-05-09 WO disclosed