SCHEMBL8005014

SCHEMBL8005014

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](COc3ccc(C(=O)Oc4ccc(C#N)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.44
PARP10 Q53GL7 6/20 0.40
PARP15 Q460N3 5/20 0.40
PARP2 Q9UGN5 2/20 0.40
FFAR4 Q5NUL3 1/20 0.37
SCN9A Q15858 1/20 0.37
KDM1A O60341 1/20 0.37
CACNA1H O95180 2/20 0.36
KAT6A Q92794 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL8005015 1.00 TRPV4 (0.44) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8020699 0.97 TRPV4 (0.43) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8020695 0.97 TRPV4 (0.43) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8004655 0.94 TRPV4 (0.42) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8004650 0.94 TRPV4 (0.42) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8014732 0.94 TRPV4 (0.42) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8014730 0.94 TRPV4 (0.42) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8017248 0.92 TRPV4 (0.45) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8017247 0.92 TRPV4 (0.45) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8016217 0.91 TRPV4 (0.42) TRPV4PARP10PARP15PARP2FFAR4

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