SCHEMBL8014609

SCHEMBL8014609

CCCCCCO[C@H]1CC[C@H](COc2ccc(C(=O)Oc3cc(F)c(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.44
PARP15 Q460N3 2/20 0.44
SCN9A Q15858 2/20 0.41
CRBN Q96SW2 1/20 0.39
LSS P48449 1/20 0.38
CNR2 P34972 1/20 0.36
THRB P10828 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
FFAR1 O14842 1/20 0.34
PPARD Q03181 1/20 0.34
NPC1 O15118 2/20 0.34
ACACB O00763 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8014613 1.00 PARP10 (0.44) PARP10PARP15SCN9ACRBNLSS
SCHEMBL8021680 0.99 PARP10 (0.44) PARP10PARP15SCN9ACRBNLSS
SCHEMBL8021676 0.99 PARP10 (0.44) PARP10PARP15SCN9ACRBNLSS
SCHEMBL8005310 0.97 PARP10 (0.46) PARP10PARP15SCN9ACRBNLSS
SCHEMBL8005309 0.97 PARP10 (0.46) PARP10PARP15SCN9ACRBNLSS
SCHEMBL8021262 0.94 PARP10 (0.47) PARP10PARP15SCN9ACRBNLSS
SCHEMBL8021264 0.94 PARP10 (0.47) PARP10PARP15SCN9ACRBNLSS
SCHEMBL8004988 0.92 PARP10 (0.46) PARP10PARP15SCN9ACRBNLSS
SCHEMBL8004984 0.92 PARP10 (0.46) PARP10PARP15SCN9ACRBNLSS
SCHEMBL8005288 0.91 NPC1 (0.42) PARP10PARP15THRBNPC1NFKB1

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