SCHEMBL8021683

SCHEMBL8021683

CC1CCC(COc2ccc(C(=O)Oc3cc(F)c(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.45
PARP15 Q460N3 5/20 0.45
PARP2 Q9UGN5 2/20 0.45
HPGD P15428 1/20 0.39
KAT6A Q92794 2/20 0.39
FFAR1 O14842 2/20 0.39
PPARD Q03181 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
SCN9A Q15858 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ADORA2B P29275 3/20 0.38
ADORA1 P30542 1/20 0.38
HTR1B P28222 1/20 0.37
OPRK1 P41145 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL8021681 1.00 PARP10 (0.45) PARP10PARP15PARP2HPGDKAT6A
SCHEMBL8017086 0.91 PARP10 (0.45) PARP10PARP15PARP2KAT6AFFAR1
SCHEMBL8017083 0.91 PARP10 (0.45) PARP10PARP15PARP2KAT6AFFAR1
SCHEMBL8021353 0.89 PARP10 (0.43) PARP10PARP15PARP2KAT6AFFAR1
SCHEMBL8021351 0.89 PARP10 (0.43) PARP10PARP15PARP2KAT6AFFAR1
SCHEMBL8017240 0.89 PARP10 (0.52) PARP10PARP15FFAR1PPARDFFAR4
SCHEMBL8017236 0.89 PARP10 (0.52) PARP10PARP15FFAR1PPARDFFAR4
SCHEMBL8021673 0.89 PARP10 (0.49) PARP10PARP15PARP2HPGDKAT6A
SCHEMBL8021670 0.89 PARP10 (0.49) PARP10PARP15PARP2HPGDKAT6A
SCHEMBL8018638 0.89 PARP10 (0.43) PARP10PARP15PARP2KAT6AFFAR1

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