SCHEMBL8017198

SCHEMBL8017198

CCCC1CCC(C2CCC(COc3ccc(C(=O)Oc4cc(F)c(C#N)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.41
PARP15 Q460N3 5/20 0.41
PARP2 Q9UGN5 2/20 0.41
SCN9A Q15858 1/20 0.38
KAT6A Q92794 2/20 0.36
FFAR1 O14842 1/20 0.36
PPARD Q03181 1/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2B P29275 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
ADAM17 P78536 1/20 0.35

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
SCHEMBL8017195 1.00 PARP10 (0.41) PARP10PARP15PARP2SCN9AKAT6A
SCHEMBL8021353 0.97 PARP10 (0.43) PARP10PARP15PARP2SCN9AKAT6A
SCHEMBL8021351 0.97 PARP10 (0.43) PARP10PARP15PARP2SCN9AKAT6A
SCHEMBL8016558 0.94 PARP10 (0.40) PARP10PARP15PARP2SCN9AFFAR1
SCHEMBL8016556 0.94 PARP10 (0.40) PARP10PARP15PARP2SCN9AFFAR1
SCHEMBL8017884 0.93 PARP10 (0.39) PARP10PARP15PARP2SCN9AKAT6A
SCHEMBL8017879 0.93 PARP10 (0.39) PARP10PARP15PARP2SCN9AKAT6A
SCHEMBL8018638 0.92 PARP10 (0.43) PARP10PARP15PARP2SCN9AKAT6A
SCHEMBL8018636 0.92 PARP10 (0.43) PARP10PARP15PARP2SCN9AKAT6A
SCHEMBL8017402 0.91 PARP10 (0.42) PARP10PARP15PARP2SCN9AFFAR1

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