SCHEMBL9572452

SCHEMBL9572452

CCOC(=O)C(CC)Oc1cc(Oc2ccc(Cl)cc2Cl)ccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.43
CYP2D6 P10635 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
NOS2 P35228 3/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
AR P10275 2/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL9572392 0.92 SLC6A4 (0.44) FFAR1CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL9572425 0.89 FFAR1 (0.46) FFAR1CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL9572427 0.88 FFAR1 (0.47) FFAR1SLC6A4MRGPRX4ARMEN1
SCHEMBL10874945 0.81 SMN1; SMN2 (0.53) CYP2D6MAPTKDM4EMEN1MAPK1
SCHEMBL9572461 0.80 FFAR1 (0.45) FFAR1CYP2D6MRGPRX4MAPTKDM4E
SCHEMBL9572456 0.80 FFAR1 (0.47) FFAR1CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL9572396 0.80 TSHR (0.51) FFAR1CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL14437655 0.79 AR (0.47) CYP2D6MRGPRX4ARSMN1; SMN2
SCHEMBL11447819 0.79 FFAR1 (0.44) FFAR1CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL9572431 0.78 FFAR1 (0.43) FFAR1SLC6A4MRGPRX4ARMEN1

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-0533925-A1 OPTICAL ISOMER OF R-FORM OF DIPHENYL ETHER DERIVATIVE AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1993-03-31 EP disclosed