SCHEMBL8933714

SCHEMBL8933714

CCC/C=C/C1CCC(c2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.35
FASN P49327 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PDE4A P27815 2/20 0.31
KDM1A O60341 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
APP P05067 2/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8933715 0.95 PDE4A (0.32) FPR2FASNPDE4AKDM1ACYP3A4
SCHEMBL8933458 0.94 FPR2 (0.32) FPR2FASNPDE4AKDM1ACYP3A4
SCHEMBL8932672 0.94 KDM1A (0.37) FPR2FASNKDM1ACYP3A4CYP2C9
SCHEMBL8933706 0.90 FPR2 (0.35) FPR2FASNKDM1ACYP3A4CYP2C9
SCHEMBL8933505 0.90 FPR2 (0.35) FPR2FASNGABRA1GABRB2PDE4A
SCHEMBL8959331 0.88 FPR2 (0.34) FPR2FASNGABRA1GABRB2PDE4A
SCHEMBL8933538 0.87 GABRA1 (0.40) FPR2FASNGABRA1GABRB2PDE4A
SCHEMBL8933682 0.85 PDE4A (0.33) FPR2FASNPDE4AKDM1ACYP3A4
SCHEMBL8933435 0.85 FPR2 (0.33) FPR2FASNGABRA1GABRB2PDE4A
SCHEMBL8959265 0.85 GABRA1 (0.38) FPR2FASNGABRA1GABRB2PDE4A

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
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed