SCHEMBL8024832

SCHEMBL8024832

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](COc3cc(F)c(C(=O)Oc4cc(F)c(C#N)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.33
SCN9A Q15858 2/20 0.33
PARP15 Q460N3 1/20 0.33
KAT6A Q92794 3/20 0.32
PPARD Q03181 4/20 0.31
FFAR1 O14842 3/20 0.31
TRPV4 Q9HBA0 1/20 0.31
THRB P10828 1/20 0.30
PTGES O14684 1/20 0.30
TOP2A P11388 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL8024829 1.00 PARP10 (0.33) PARP10SCN9APARP15KAT6APPARD
SCHEMBL8011810 0.97 PARP10 (0.34) PARP10SCN9APARP15KAT6APPARD
SCHEMBL8011813 0.97 PARP10 (0.34) PARP10SCN9APARP15KAT6APPARD
SCHEMBL8017208 0.97 PARP10 (0.35) PARP10SCN9APARP15KAT6APPARD
SCHEMBL8011158 0.96 PARP10 (0.34) PARP10SCN9APARP15KAT6APPARD
SCHEMBL8022812 0.96 PARP10 (0.34) PARP10SCN9APARP15KAT6APPARD
SCHEMBL8022921 0.96 PARP10 (0.34) PARP10SCN9APARP15KAT6APPARD
SCHEMBL8027837 0.96 PARP10 (0.34) PARP10SCN9APARP15KAT6APPARD
SCHEMBL8011405 0.96 PARP10 (0.34) PARP10SCN9APARP15KAT6APPARD
SCHEMBL8013864 0.94 PARP10 (0.35) PARP10SCN9APARP15KAT6APPARD

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