SCHEMBL8020665

SCHEMBL8020665

C[C@H]1CC[C@H](COc2cc(F)c(C(=O)Oc3ccc(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.45
KDM1A O60341 1/20 0.41
PARP10 Q53GL7 3/20 0.41
PARP15 Q460N3 2/20 0.41
HPGD P15428 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SCN9A Q15858 3/20 0.38
EGLN2 Q96KS0 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
CACNA1H O95180 2/20 0.36
KAT6A Q92794 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL8020669 1.00 TRPV4 (0.45) TRPV4KDM1APARP10PARP15HPGD
SCHEMBL8005305 0.92 TRPV4 (0.45) TRPV4KDM1APARP10PARP15FFAR4
SCHEMBL8005303 0.92 TRPV4 (0.45) TRPV4KDM1APARP10PARP15FFAR4
SCHEMBL8016041 0.89 TRPV4 (0.45) TRPV4KDM1APARP10PARP15HPGD
SCHEMBL8005329 0.89 PARP10 (0.51) TRPV4KDM1APARP10PARP15FFAR4
SCHEMBL8016037 0.89 TRPV4 (0.45) TRPV4KDM1APARP10PARP15HPGD
SCHEMBL8005337 0.89 PARP10 (0.51) TRPV4KDM1APARP10PARP15FFAR4
SCHEMBL8013855 0.89 TRPV4 (0.45) TRPV4KDM1APARP10PARP15FFAR4
SCHEMBL8021309 0.88 TRPV4 (0.42) TRPV4KDM1APARP10PARP15FFAR4
SCHEMBL8021313 0.88 TRPV4 (0.42) TRPV4KDM1APARP10PARP15FFAR4

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