SCHEMBL8527088

SCHEMBL8527088

CC1Cc2ccccc2C1c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.42
SOAT1 P35610 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
ESR2 Q92731 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL14489160 1.00 OPRM1 (0.42) OPRM1SOAT1SLC22A12ESR2SIGMAR1
SCHEMBL7912606 0.85 SIGMAR1 (0.49) OPRM1SIGMAR1
SCHEMBL14488850 0.83 HTR2A (0.49) OPRM1SIGMAR1
SCHEMBL14489184 0.80 GID4 (0.50) OPRM1
SCHEMBL14488787 0.80 OPRM1 (0.48) OPRM1
SCHEMBL8938881 0.78 SLC22A12 (0.63) SLC22A12ESR2SIGMAR1
SCHEMBL11548815 0.75 SIGMAR1 (0.46) OPRM1SLC22A12SIGMAR1
SCHEMBL14488914 0.74 LIPE (0.41)
SCHEMBL14489223 0.71 SLC22A12 (0.59) SLC22A12SIGMAR1
SCHEMBL9418187 0.70 ESR1 (0.49) ESR2

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