SCHEMBL8026098

SCHEMBL8026098

CCCCO[C@H]1CC[C@H](COc2cc(F)c(C(=O)Oc3cc(F)c(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.35
PARP15 Q460N3 1/20 0.35
ACACB O00763 3/20 0.35
SCN9A Q15858 2/20 0.33
PPARD Q03181 4/20 0.33
FFAR1 O14842 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KAT6A Q92794 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CRBN Q96SW2 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4D Q08499 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL8022362 0.96 PLA2G2A (0.34) PARP10PARP15ACACBKAT6A
SCHEMBL8024189 0.95 ACACB (0.36) PARP10PARP15ACACBSCN9APPARD
SCHEMBL8028009 0.90 PARP10 (0.38) PARP10PARP15ACACBSCN9APPARD
SCHEMBL8028007 0.90 PARP10 (0.38) PARP10PARP15ACACBSCN9APPARD
SCHEMBL8013976 0.90 PARP10 (0.40) PARP10PARP15PPARDFFAR1NPC1
SCHEMBL8013974 0.90 PARP10 (0.40) PARP10PARP15PPARDFFAR1NPC1
SCHEMBL8005309 0.90 PARP10 (0.46) PARP10PARP15ACACBSCN9APPARD
SCHEMBL8005310 0.90 PARP10 (0.46) PARP10PARP15ACACBSCN9APPARD
SCHEMBL8005322 0.89 TRPV4 (0.41) PARP10PARP15ACACBSCN9AKAT6A
SCHEMBL8005320 0.89 TRPV4 (0.41) PARP10PARP15ACACBSCN9AKAT6A

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