SCHEMBL8771393

SCHEMBL8771393

CCCCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.35
PDE2A O00408 4/20 0.35
KDM1A O60341 2/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SPHK1 Q9NYA1 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
SCHEMBL8771398 1.00 EPHX2 (0.35) EPHX2PDE2AKDM1ACYP2C9MAPT
SCHEMBL8771385 1.00 EPHX2 (0.35) EPHX2PDE2AKDM1ACYP2C9MAPT
SCHEMBL10043165 0.99 CYP2C9 (0.36) EPHX2PDE2AKDM1ACYP2C9MAPT
SCHEMBL23666202 0.96 EPHX2 (0.35) EPHX2PDE2AKDM1ACYP2C9MAPT
SCHEMBL10043357 0.95 OPRL1 (0.35) EPHX2PDE2AKDM1ACYP2C9
SCHEMBL10043163 0.95 OPRL1 (0.35) EPHX2PDE2AKDM1ACYP2C9
SCHEMBL10043358 0.95 EPHX2 (0.34) EPHX2PDE2AKDM1ACYP2C9MAPT
SCHEMBL8771358 0.92 CYP2C9 (0.41) EPHX2PDE2AKDM1ACYP2C9MAPT
SCHEMBL3437359 0.92 CYP2C9 (0.41) EPHX2PDE2AKDM1ACYP2C9MAPT
SCHEMBL8110570 0.92 CYP2C9 (0.41) EPHX2PDE2AKDM1ACYP2C9MAPT

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 5 patents. 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
EP-0471831-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 1996-08-14 EP disclosed
US-5389289-A Chemical and heat resistance MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0471831-A1 LIQUID CRYSTALLINE MEDIUM. MERCK PATENT GMBH (DE) 1992-02-26 EP disclosed
WO-1991013947-A2 LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-09-19 WO disclosed