SCHEMBL8018629

SCHEMBL8018629

CCC[C@H]1CC[C@H](COc2ccc(C(=O)Oc3cc(F)c(F)c(F)c3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.47
PARP15 Q460N3 5/20 0.47
PARP2 Q9UGN5 2/20 0.47
SCN9A Q15858 2/20 0.41
MAOB P27338 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 1/20 0.38
CYP2C9 P11712 1/20 0.38
FFAR1 O14842 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL8018627 1.00 PARP10 (0.47) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8017886 0.97 PARP10 (0.44) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8017881 0.97 PARP10 (0.44) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8020271 0.93 PARP10 (0.45) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8020267 0.93 PARP10 (0.45) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8017077 0.92 PARP10 (0.44) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8017075 0.92 PARP10 (0.44) PARP10PARP15PARP2SCN9AMAOB
SCHEMBL8005535 0.91 PARP10 (0.43) PARP10PARP15PARP2SCN9AMAPT
SCHEMBL8004612 0.91 PARP10 (0.43) PARP10PARP15PARP2SCN9AMAPT
SCHEMBL8017070 0.91 PARP10 (0.43) PARP10PARP15PARP2SCN9AMAPT

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