SCHEMBL8730387

SCHEMBL8730387

C=C[C@H]1CC[C@H](c2ccc(COCCCCC)cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
HTR6 P50406 1/20 0.34
GBA1 P04062 2/20 0.32
LCT P09848 2/20 0.32
UGCG Q16739 2/20 0.32
GBA2 Q9HCG7 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
OPRL1 P41146 1/20 0.31
GRM2 Q14416 1/20 0.31
SCN9A Q15858 1/20 0.30
CNR2 P34972 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL8730389 1.00 KDM5A (0.36) KDM5AKDM4CHTR6GBA1LCT
SCHEMBL8725374 0.91 RARB (0.36) KDM5AKDM4CGBA1UGCGGBA2
SCHEMBL8730542 0.90 HTR6 (0.34) KDM5AKDM4CHTR6ALOX5APFEN1
SCHEMBL8730545 0.90 HTR6 (0.34) KDM5AKDM4CHTR6ALOX5APFEN1
SCHEMBL8730530 0.90 HTR6 (0.34) KDM5AKDM4CHTR6ALOX5APFEN1
SCHEMBL8725066 0.84 GBA1 (0.33) GBA1UGCGGBA2OPRL1
SCHEMBL8725583 0.83 SPHK1 (0.30) OPRL1
SCHEMBL8725588 0.83 SPHK1 (0.30) OPRL1
SCHEMBL8725582 0.83 SPHK1 (0.30) OPRL1
SCHEMBL8732000 0.82 GBA1 (0.40) GBA1LCTUGCGGBA2MGAM

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-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed