SCHEMBL8005500

SCHEMBL8005500

CCCO[C@H]1CC[C@H](COc2ccc(C(=O)Oc3ccc(C#N)c(F)c3)c(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.46
PARP15 Q460N3 1/20 0.46
TRPV4 Q9HBA0 3/20 0.43
SCN9A Q15858 2/20 0.42
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ACACB O00763 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CRBN Q96SW2 1/20 0.36
KDM1A O60341 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL8005506 1.00 PARP10 (0.46) PARP10PARP15TRPV4SCN9ANPC1
SCHEMBL8018304 0.95 PARP10 (0.45) PARP10PARP15TRPV4SCN9AACACB
SCHEMBL8018296 0.95 PARP10 (0.45) PARP10PARP15TRPV4SCN9AACACB
SCHEMBL8017227 0.94 PARP10 (0.44) PARP10PARP15TRPV4SCN9AACACB
SCHEMBL8017224 0.94 PARP10 (0.44) PARP10PARP15TRPV4SCN9AACACB
SCHEMBL8005524 0.93 PARP10 (0.43) PARP10PARP15TRPV4SCN9AACACB
SCHEMBL8005526 0.93 PARP10 (0.43) PARP10PARP15TRPV4SCN9AACACB
SCHEMBL8005362 0.91 TRPV4 (0.41) PARP10PARP15TRPV4NPC1RAB9A
SCHEMBL8005366 0.91 TRPV4 (0.41) PARP10PARP15TRPV4NPC1RAB9A
SCHEMBL8005328 0.91 TRPV4 (0.41) PARP10PARP15TRPV4SCN9ANPC1

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