SCHEMBL8005366

SCHEMBL8005366

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.41
PARP10 Q53GL7 6/20 0.40
PARP15 Q460N3 5/20 0.40
PARP2 Q9UGN5 2/20 0.40
FFAR4 Q5NUL3 1/20 0.37
KDM1A O60341 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CACNA1H O95180 2/20 0.35
KAT6A Q92794 1/20 0.35
ACACB O00763 1/20 0.35
SSTR5 P35346 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL8005362 1.00 TRPV4 (0.41) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8014679 0.95 TRPV4 (0.41) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8014677 0.95 TRPV4 (0.41) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8017239 0.94 ALDH1A1 (0.41) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8017235 0.94 ALDH1A1 (0.41) TRPV4PARP10PARP15PARP2FFAR4
SCHEMBL8013760 0.93 ALDH1A1 (0.43) TRPV4PARP10PARP15PARP2MAPT
SCHEMBL8013763 0.93 ALDH1A1 (0.43) TRPV4PARP10PARP15PARP2MAPT
SCHEMBL8005328 0.91 TRPV4 (0.41) TRPV4PARP10PARP15FFAR4KDM1A
SCHEMBL8005326 0.91 TRPV4 (0.41) TRPV4PARP10PARP15FFAR4KDM1A
SCHEMBL8005506 0.91 PARP10 (0.46) TRPV4PARP10PARP15FFAR4KDM1A

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