SCHEMBL8016982

SCHEMBL8016982

CCCOC1CCC(COc2ccc(C(=O)Oc3cc(F)c(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.41
PARP15 Q460N3 5/20 0.41
PARP2 Q9UGN5 2/20 0.41
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FFAR1 O14842 1/20 0.36
PPARD Q03181 1/20 0.36
KAT6A Q92794 1/20 0.36
SSTR5 P35346 1/20 0.36
KCNH2 Q12809 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SCN9A Q15858 1/20 0.36
PRSS1 P07477 1/20 0.35
ACR P10323 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
SCHEMBL8016978 1.00 PARP10 (0.41) PARP10PARP15PARP2KMT2AMAPT
SCHEMBL8013974 0.96 PARP10 (0.40) PARP10PARP15PARP2KMT2AMAPT
SCHEMBL8013976 0.96 PARP10 (0.40) PARP10PARP15PARP2KMT2AMAPT
SCHEMBL8018358 0.94 NPC1 (0.41) PARP10PARP15PARP2KMT2AMAPT
SCHEMBL8018361 0.94 NPC1 (0.41) PARP10PARP15PARP2KMT2AMAPT
SCHEMBL8005286 0.94 NPC1 (0.42) PARP10PARP15PARP2KMT2AMAPT
SCHEMBL8005288 0.94 NPC1 (0.42) PARP10PARP15PARP2KMT2AMAPT
SCHEMBL8017864 0.91 PARP10 (0.43) PARP10PARP15PARP2KMT2AMAPT
SCHEMBL8017869 0.91 PARP10 (0.43) PARP10PARP15PARP2KMT2AMAPT
SCHEMBL8005362 0.90 TRPV4 (0.41) PARP10PARP15PARP2KMT2AMAPT

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