SCHEMBL8004593

SCHEMBL8004593

CCCCCC1CCC(COc2cc(F)c(C(=O)Oc3ccc(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.42
PARP10 Q53GL7 2/20 0.38
PARP15 Q460N3 1/20 0.38
SCN9A Q15858 2/20 0.37
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
EGLN2 Q96KS0 2/20 0.35
CACNA1H O95180 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KAT6A Q92794 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL8004589 1.00 TRPV4 (0.42) TRPV4PARP10PARP15SCN9AKDM1A
SCHEMBL8017221 0.99 TRPV4 (0.41) TRPV4PARP10PARP15SCN9AKDM1A
SCHEMBL8013710 0.99 TRPV4 (0.41) TRPV4PARP10PARP15SCN9AKDM1A
SCHEMBL8014708 0.99 TRPV4 (0.41) TRPV4PARP10PARP15SCN9AKDM1A
SCHEMBL8014340 0.99 TRPV4 (0.41) TRPV4PARP10PARP15SCN9AKDM1A
SCHEMBL8013959 0.99 TRPV4 (0.41) TRPV4PARP10PARP15SCN9AKDM1A
SCHEMBL8014336 0.99 TRPV4 (0.41) TRPV4PARP10PARP15SCN9AKDM1A
SCHEMBL8014702 0.99 TRPV4 (0.41) TRPV4PARP10PARP15SCN9AKDM1A
SCHEMBL8013712 0.99 TRPV4 (0.41) TRPV4PARP10PARP15SCN9AKDM1A
SCHEMBL8017217 0.99 TRPV4 (0.41) TRPV4PARP10PARP15SCN9AKDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6149990-A Carboxylate derivatives comprising an ether group and liquid crystal composition comprising the same CHISSO CORPORATION (JP) 2000-11-21 US disclosed
EP-0884302-A1 CARBOXYLIC ESTER DERIVATIVES CONTAINING ETHER GROUP AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1998-12-16 EP disclosed