SCHEMBL8024455

SCHEMBL8024455

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.37
PARP15 Q460N3 2/20 0.37
SCN9A Q15858 2/20 0.37
KAT6A Q92794 3/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CYP2C9 P11712 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
FFAR1 O14842 3/20 0.32
ACACB O00763 1/20 0.32
PPARD Q03181 1/20 0.32
TLR4 O00206 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL8021413 0.97 PARP10 (0.39) PARP10PARP15SCN9AKAT6AFFAR4
SCHEMBL8021412 0.97 PARP10 (0.39) PARP10PARP15SCN9AKAT6AFFAR4
SCHEMBL8023179 0.94 PARP10 (0.36) PARP10PARP15SCN9AKAT6AFFAR4
SCHEMBL8023022 0.93 PARP10 (0.35) PARP10PARP15SCN9AKAT6AFFAR4
SCHEMBL8024438 0.91 PARP10 (0.39) PARP10PARP15SCN9AKAT6AFFAR4
SCHEMBL8011747 0.90 PARP10 (0.38) PARP10PARP15SCN9AKAT6AFFAR4
SCHEMBL8011746 0.90 PARP10 (0.38) PARP10PARP15SCN9AKAT6AFFAR4
SCHEMBL8027988 0.89 PARP10 (0.35) PARP10PARP15SCN9AKAT6AFFAR4
SCHEMBL8027986 0.89 PARP10 (0.35) PARP10PARP15SCN9AKAT6AFFAR4
SCHEMBL8024815 0.89 PARP10 (0.37) PARP10PARP15SCN9AKAT6AFFAR4

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