SCHEMBL8005534

SCHEMBL8005534

CCC[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 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.37
PARP15 Q460N3 2/20 0.37
SCN9A Q15858 2/20 0.36
KAT6A Q92794 3/20 0.35
PPARD Q03181 4/20 0.33
FFAR1 O14842 3/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CYP2C9 P11712 1/20 0.32
PARP2 Q9UGN5 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
SCHEMBL8027986 0.97 PARP10 (0.35) PARP10PARP15SCN9AKAT6APPARD
SCHEMBL8027988 0.97 PARP10 (0.35) PARP10PARP15SCN9AKAT6APPARD
SCHEMBL8013864 0.94 PARP10 (0.35) PARP10PARP15SCN9AKAT6APPARD
SCHEMBL8017208 0.93 PARP10 (0.35) PARP10PARP15SCN9AKAT6APPARD
SCHEMBL8011158 0.92 PARP10 (0.34) PARP10PARP15SCN9AKAT6APPARD
SCHEMBL8022921 0.92 PARP10 (0.34) PARP10PARP15SCN9AKAT6APPARD
SCHEMBL8022812 0.92 PARP10 (0.34) PARP10PARP15SCN9AKAT6APPARD
SCHEMBL8027837 0.92 PARP10 (0.34) PARP10PARP15SCN9AKAT6APPARD
SCHEMBL8011405 0.92 PARP10 (0.34) PARP10PARP15SCN9AKAT6APPARD
SCHEMBL8014442 0.91 PARP10 (0.38) PARP10PARP15SCN9AKAT6APPARD

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