SCHEMBL8022362

SCHEMBL8022362

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.34
ACACB O00763 1/20 0.34
THRB P10828 2/20 0.33
CNR2 P34972 9/20 0.33
CNR1 P21554 8/20 0.33
PARP10 Q53GL7 2/20 0.32
PARP15 Q460N3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
EPHX2 P34913 1/20 0.32
KAT6A Q92794 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL8026098 0.96 PARP10 (0.35) ACACBPARP10PARP15KAT6A
SCHEMBL8024189 0.93 ACACB (0.36) ACACBPARP10PARP15KAT6A
SCHEMBL8028056 0.91 ACACB (0.36) PLA2G2AACACBTHRBCNR2CNR1
SCHEMBL8028059 0.91 ACACB (0.36) PLA2G2AACACBTHRBCNR2CNR1
SCHEMBL8024655 0.89 ACACB (0.36) PLA2G2AACACBTHRBCNR2CNR1
SCHEMBL8024653 0.89 ACACB (0.36) PLA2G2AACACBTHRBCNR2CNR1
SCHEMBL8014609 0.89 PARP10 (0.44) ACACBTHRBCNR2PARP10PARP15
SCHEMBL8005288 0.89 NPC1 (0.42) THRBPARP10PARP15ALDH1A1HPGD
SCHEMBL8005286 0.89 NPC1 (0.42) THRBPARP10PARP15ALDH1A1HPGD
SCHEMBL8014613 0.89 PARP10 (0.44) ACACBTHRBCNR2PARP10PARP15

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