SCHEMBL8028056

SCHEMBL8028056

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
THRB P10828 2/20 0.35
PLA2G2A P14555 1/20 0.34
PARP10 Q53GL7 2/20 0.34
PARP15 Q460N3 1/20 0.34
CNR2 P34972 10/20 0.34
CNR1 P21554 9/20 0.34
EPHX2 P34913 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 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
SCHEMBL8028059 1.00 ACACB (0.36) ACACBTHRBPLA2G2APARP10PARP15
SCHEMBL8024655 0.99 ACACB (0.36) ACACBTHRBPLA2G2APARP10PARP15
SCHEMBL8024653 0.99 ACACB (0.36) ACACBTHRBPLA2G2APARP10PARP15
SCHEMBL8028009 0.96 PARP10 (0.38) ACACBPARP10PARP15NPC1SCN9A
SCHEMBL8028007 0.96 PARP10 (0.38) ACACBPARP10PARP15NPC1SCN9A
SCHEMBL8022521 0.92 ACACB (0.38) ACACBPARP10PARP15NPC1SCN9A
SCHEMBL8022517 0.92 ACACB (0.38) ACACBPARP10PARP15NPC1SCN9A
SCHEMBL8022362 0.91 PLA2G2A (0.34) ACACBTHRBPLA2G2APARP10PARP15
SCHEMBL8005285 0.88 NPC1 (0.45) THRBPARP10PARP15NFKB1NFKB2
SCHEMBL8005283 0.88 NPC1 (0.45) THRBPARP10PARP15NFKB1NFKB2

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