SCHEMBL9515667

SCHEMBL9515667

CC(C)C(C)/C(=C\C=C\C1C(c2cccc(C(F)(F)F)c2)C1(C)C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
EPHX1 P07099 5/20 0.36
GUSB P08236 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
KIF11 P52732 1/20 0.33
RECQL P46063 1/20 0.33
SLC9A1 P19634 2/20 0.33
CCR2 P41597 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL9580485 0.77 NPSR1 (0.39) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL9515681 0.77 NPSR1 (0.39) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL9515671 0.77 NPSR1 (0.39) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL9580477 0.77 NPSR1 (0.39) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL30739738 0.63 CES2 (0.41) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL9516589 0.63 KDM1A (0.45) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL9516595 0.63 KDM1A (0.45) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL18157786 0.59 CES2 (0.42) GUSBALDH1A1LMNAMAPTHTT
SCHEMBL18143766 0.59 CES2 (0.42) GUSBALDH1A1LMNAMAPTHTT
SCHEMBL18143768 0.59 CES2 (0.42) GUSBALDH1A1LMNAMAPTHTT

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-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed