SCHEMBL8771246

SCHEMBL8771246

CCC[SiH]1CCC([C@H]2CC[C@H](c3ccc(OC(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.34
PDE2A O00408 6/20 0.34
KDM1A O60341 2/20 0.33
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 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
SCHEMBL8771254 1.00 EPHX2 (0.34) EPHX2PDE2AKDM1AHCRTR1HCRTR2
SCHEMBL8771265 1.00 EPHX2 (0.34) EPHX2PDE2AKDM1AHCRTR1HCRTR2
SCHEMBL8771259 1.00 EPHX2 (0.34) EPHX2PDE2AKDM1AHCRTR1HCRTR2
SCHEMBL8771208 0.92 PDE2A (0.35) EPHX2PDE2AKDM1AHCRTR1HCRTR2
SCHEMBL8771211 0.92 PDE2A (0.35) EPHX2PDE2AKDM1AHCRTR1HCRTR2
SCHEMBL8771220 0.92 PDE2A (0.35) EPHX2PDE2AKDM1AHCRTR1HCRTR2
SCHEMBL8771225 0.92 PDE2A (0.35) EPHX2PDE2AKDM1AHCRTR1HCRTR2
SCHEMBL8015211 0.91 CTSK (0.36) EPHX2PDE2A
SCHEMBL8015214 0.91 CTSK (0.36) EPHX2PDE2A
SCHEMBL7769939 0.88 EPHX2 (0.33) EPHX2PDE2AKDM1AHCRTR1HCRTR2

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-0799878-A1 Liquid crystal compositions and liquid crystal display elements containing same Shin-Etsu Chemical Co., Ltd. (JP) 1997-10-08 EP disclosed