SCHEMBL8022812

SCHEMBL8022812

CCCCCCCCC[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 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.34
PARP15 Q460N3 1/20 0.34
SCN9A Q15858 2/20 0.34
KAT6A Q92794 3/20 0.33
THRB P10828 2/20 0.33
PLA2G2A P14555 1/20 0.32
FFAR1 O14842 2/20 0.32
PPARD Q03181 2/20 0.32
HTR4 Q13639 1/20 0.32
CNR1 P21554 3/20 0.31
CNR2 P34972 3/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL8027837 1.00 PARP10 (0.34) PARP10PARP15SCN9AKAT6ATHRB
SCHEMBL8011405 1.00 PARP10 (0.34) PARP10PARP15SCN9AKAT6ATHRB
SCHEMBL8022921 1.00 PARP10 (0.34) PARP10PARP15SCN9AKAT6ATHRB
SCHEMBL8011158 1.00 PARP10 (0.34) PARP10PARP15SCN9AKAT6ATHRB
SCHEMBL8017208 0.99 PARP10 (0.35) PARP10PARP15SCN9AKAT6ATHRB
SCHEMBL8024832 0.96 PARP10 (0.33) PARP10PARP15SCN9AKAT6ATHRB
SCHEMBL8024829 0.96 PARP10 (0.33) PARP10PARP15SCN9AKAT6ATHRB
SCHEMBL8013864 0.96 PARP10 (0.35) PARP10PARP15SCN9AKAT6AFFAR1
SCHEMBL8011813 0.93 PARP10 (0.34) PARP10PARP15SCN9AKAT6AFFAR1
SCHEMBL8011810 0.93 PARP10 (0.34) PARP10PARP15SCN9AKAT6AFFAR1

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