SCHEMBL8005322

SCHEMBL8005322

CCCCOC1CCC(COc2cc(F)c(C(=O)Oc3ccc(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.41
PARP10 Q53GL7 2/20 0.36
PARP15 Q460N3 1/20 0.36
KDM1A O60341 1/20 0.36
ACACB O00763 3/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SCN9A Q15858 1/20 0.34
EGLN2 Q96KS0 2/20 0.34
CACNA1H O95180 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KAT6A Q92794 1/20 0.33

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
SCHEMBL8005320 1.00 TRPV4 (0.41) TRPV4PARP10PARP15KDM1AACACB
SCHEMBL8005274 0.98 TRPV4 (0.40) TRPV4PARP10PARP15KDM1AACACB
SCHEMBL8005276 0.98 TRPV4 (0.40) TRPV4PARP10PARP15KDM1AACACB
SCHEMBL8018332 0.97 TRPV4 (0.39) TRPV4PARP10PARP15KDM1AACACB
SCHEMBL8018335 0.97 TRPV4 (0.39) TRPV4PARP10PARP15KDM1AACACB
SCHEMBL8005328 0.95 TRPV4 (0.41) TRPV4PARP10PARP15KDM1AACACB
SCHEMBL8005326 0.95 TRPV4 (0.41) TRPV4PARP10PARP15KDM1AACACB
SCHEMBL8018296 0.91 PARP10 (0.45) TRPV4PARP10PARP15KDM1AACACB
SCHEMBL8018304 0.91 PARP10 (0.45) TRPV4PARP10PARP15KDM1AACACB
SCHEMBL8014679 0.91 TRPV4 (0.41) TRPV4PARP10PARP15KDM1AALDH1A1

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