SCHEMBL8005310

SCHEMBL8005310

CCCCOC1CCC(COc2ccc(C(=O)Oc3cc(F)c(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.46
PARP15 Q460N3 2/20 0.46
SCN9A Q15858 2/20 0.42
CRBN Q96SW2 1/20 0.40
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
FFAR1 O14842 2/20 0.35
PPARD Q03181 2/20 0.35
LSS P48449 1/20 0.35
ACACB O00763 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL8005309 1.00 PARP10 (0.46) PARP10PARP15SCN9ACRBNRARA
SCHEMBL8021680 0.98 PARP10 (0.44) PARP10PARP15SCN9ACRBNRARA
SCHEMBL8021676 0.98 PARP10 (0.44) PARP10PARP15SCN9ACRBNRARA
SCHEMBL8014613 0.97 PARP10 (0.44) PARP10PARP15SCN9ACRBNRARA
SCHEMBL8014609 0.97 PARP10 (0.44) PARP10PARP15SCN9ACRBNRARA
SCHEMBL8021262 0.96 PARP10 (0.47) PARP10PARP15SCN9ACRBNFFAR1
SCHEMBL8021264 0.96 PARP10 (0.47) PARP10PARP15SCN9ACRBNFFAR1
SCHEMBL8016454 0.91 PARP10 (0.48) PARP10PARP15SCN9ACRBNRARA
SCHEMBL8016451 0.91 PARP10 (0.48) PARP10PARP15SCN9ACRBNRARA
SCHEMBL8013976 0.91 PARP10 (0.40) PARP10PARP15FFAR1PPARDNPC1

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