SCHEMBL8016041

SCHEMBL8016041

C[C@H]1CC[C@H](COc2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.45
PARP10 Q53GL7 6/20 0.44
PARP15 Q460N3 5/20 0.44
PARP2 Q9UGN5 2/20 0.44
KDM1A O60341 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
HPGD P15428 1/20 0.38
CACNA1H O95180 2/20 0.38
KAT6A Q92794 2/20 0.38
SCN9A Q15858 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL8016037 1.00 TRPV4 (0.45) TRPV4PARP10PARP15PARP2KDM1A
SCHEMBL8021377 0.92 TRPV4 (0.45) TRPV4PARP10PARP15PARP2KDM1A
SCHEMBL8021378 0.92 TRPV4 (0.45) TRPV4PARP10PARP15PARP2KDM1A
SCHEMBL9591785 0.90 KMT2A (0.39) TRPV4HPGDNPC1
SCHEMBL9591798 0.90 KMT2A (0.39) TRPV4HPGDNPC1
SCHEMBL8020695 0.90 TRPV4 (0.43) TRPV4PARP10PARP15PARP2KDM1A
SCHEMBL8020699 0.90 TRPV4 (0.43) TRPV4PARP10PARP15PARP2KDM1A
SCHEMBL8020669 0.89 TRPV4 (0.45) TRPV4PARP10PARP15PARP2KDM1A
SCHEMBL8020665 0.89 TRPV4 (0.45) TRPV4PARP10PARP15PARP2KDM1A
SCHEMBL8005329 0.89 PARP10 (0.51) TRPV4PARP10PARP15KDM1AFFAR4

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