SCHEMBL9514790

SCHEMBL9514790

CCON=CCc1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.42
CALM1 P0DP23 1/20 0.41
DRD2 P14416 3/20 0.41
DRD1 P21728 2/20 0.41
DRD3 P35462 2/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39

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
SCHEMBL28097547 0.80 IDO1 (0.41) CALM1CHRM2CHRM1CHRM3CYP3A4
SCHEMBL7952963 0.79 MAOB (0.43) ALOX15
SCHEMBL25620321 0.77 ENPP2 (0.52) ENPP2DRD2DRD1CHRM2CHRM1
SCHEMBL3714059 0.75 ENPP2 (0.50) ENPP2DRD2DRD1CHRM2CHRM1
SCHEMBL22295829 0.74 CYP1A2 (0.42) ENPP2DRD2DRD1DRD3DRD4
SCHEMBL30001086 0.71 OPRM1 (0.56) ENPP2DRD2DRD1CHRM2CHRM1
SCHEMBL3506161 0.71 ENPP2 (0.54) ENPP2DRD2DRD1DRD3DRD4
SCHEMBL299759 0.71 OPRM1 (0.56) ENPP2DRD2DRD1CHRM2CHRM1
SCHEMBL6570415 0.71
SCHEMBL28097548 0.70 IDO1 (0.43) TAAR1

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-0386561-B1 SUBSTITUTED OXIME ETHERS AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1993-04-21 EP disclosed
EP-0386561-A1 Substituted oxime ethers and fungicides containing them BASF Aktiengesellschaft (DE) 1990-09-12 EP disclosed