SCHEMBL8022517

SCHEMBL8022517

CCCO[C@H]1CC[C@H](COc2cc(F)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.38
PARP10 Q53GL7 3/20 0.37
PARP15 Q460N3 2/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SCN9A Q15858 2/20 0.34
KAT6A Q92794 3/20 0.33
FFAR4 Q5NUL3 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
FFAR1 O14842 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL8022521 1.00 ACACB (0.38) ACACBPARP10PARP15NPC1RAB9A
SCHEMBL8028009 0.94 PARP10 (0.38) ACACBPARP10PARP15NPC1RAB9A
SCHEMBL8028007 0.94 PARP10 (0.38) ACACBPARP10PARP15NPC1RAB9A
SCHEMBL8024653 0.93 ACACB (0.36) ACACBPARP10PARP15NPC1SCN9A
SCHEMBL8024655 0.93 ACACB (0.36) ACACBPARP10PARP15NPC1SCN9A
SCHEMBL8028056 0.92 ACACB (0.36) ACACBPARP10PARP15NPC1SCN9A
SCHEMBL8028059 0.92 ACACB (0.36) ACACBPARP10PARP15NPC1SCN9A
SCHEMBL8024189 0.91 ACACB (0.36) ACACBPARP10PARP15NPC1RAB9A
SCHEMBL8017864 0.87 PARP10 (0.43) PARP10PARP15NPC1RAB9ASCN9A
SCHEMBL8017869 0.87 PARP10 (0.43) PARP10PARP15NPC1RAB9ASCN9A

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