SCHEMBL8017240

SCHEMBL8017240

CC1CCC(COc2ccc(C(=O)Oc3cc(F)c(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.52
PARP15 Q460N3 2/20 0.52
SCN9A Q15858 4/20 0.47
FFAR1 O14842 4/20 0.39
PPARD Q03181 4/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LSS P48449 1/20 0.38

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
SCHEMBL8017236 1.00 PARP10 (0.52) PARP10PARP15SCN9AFFAR1PPARD
SCHEMBL8021405 0.91 PARP10 (0.52) PARP10PARP15SCN9AFFAR1PPARD
SCHEMBL8021404 0.91 PARP10 (0.52) PARP10PARP15SCN9AFFAR1PPARD
SCHEMBL8005475 0.90 PARP10 (0.55) PARP10PARP15SCN9AFFAR1PPARD
SCHEMBL8005480 0.90 PARP10 (0.55) PARP10PARP15SCN9AFFAR1PPARD
SCHEMBL8014373 0.89 PARP10 (0.50) PARP10PARP15SCN9AFFAR1PPARD
SCHEMBL8014371 0.89 PARP10 (0.50) PARP10PARP15SCN9AFFAR1PPARD
SCHEMBL8021681 0.89 PARP10 (0.45) PARP10PARP15SCN9AFFAR1PPARD
SCHEMBL8021683 0.89 PARP10 (0.45) PARP10PARP15SCN9AFFAR1PPARD
SCHEMBL8014461 0.89 PARP10 (0.49) PARP10PARP15SCN9AFFAR1PPARD

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