SCHEMBL8004627

SCHEMBL8004627

CCCCCCCCCCC1CCC(COc2ccc(C(=O)Oc3cc(F)c(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.47
PARP15 Q460N3 2/20 0.47
SCN9A Q15858 2/20 0.45
CRBN Q96SW2 1/20 0.39
FFAR1 O14842 3/20 0.36
PPARD Q03181 3/20 0.36
LSS P48449 2/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
CNR2 P34972 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
SCHEMBL8005542 1.00 PARP10 (0.47) PARP10PARP15SCN9ACRBNFFAR1
SCHEMBL8013506 1.00 PARP10 (0.47) PARP10PARP15SCN9ACRBNFFAR1
SCHEMBL8005482 1.00 PARP10 (0.47) PARP10PARP15SCN9ACRBNFFAR1
SCHEMBL8004623 1.00 PARP10 (0.47) PARP10PARP15SCN9ACRBNFFAR1
SCHEMBL8005544 1.00 PARP10 (0.47) PARP10PARP15SCN9ACRBNFFAR1
SCHEMBL8005486 1.00 PARP10 (0.47) PARP10PARP15SCN9ACRBNFFAR1
SCHEMBL8013510 1.00 PARP10 (0.47) PARP10PARP15SCN9ACRBNFFAR1
SCHEMBL8020256 1.00 PARP10 (0.47) PARP10PARP15SCN9ACRBNFFAR1
SCHEMBL8020255 1.00 PARP10 (0.47) PARP10PARP15SCN9ACRBNFFAR1
SCHEMBL8017097 0.99 PARP10 (0.47) PARP10PARP15SCN9ACRBNFFAR1

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