SCHEMBL8014666

SCHEMBL8014666

CCCCCCCC[C@H]1CC[C@H](CO[C@H]2CC[C@H](C(=O)Oc3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
CA2 P00918 1/20 0.33
CCR2 P41597 1/20 0.32
SCN9A Q15858 1/20 0.32
NAAA Q02083 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
SCHEMBL8016987 1.00 MEN1 (0.36) MEN1HTTKMT2AGAAMAPT
SCHEMBL8014357 1.00 MEN1 (0.36) MEN1HTTKMT2AGAAMAPT
SCHEMBL8021281 1.00 MEN1 (0.36) MEN1HTTKMT2AGAAMAPT
SCHEMBL8013908 1.00 MEN1 (0.36) MEN1HTTKMT2AGAAMAPT
SCHEMBL8017367 0.99 GAA (0.36) MEN1HTTKMT2AGAAMAPT
SCHEMBL8014731 0.96 GAA (0.35) MEN1HTTKMT2AGAAMAPT
SCHEMBL8014727 0.96 GAA (0.35) MEN1HTTKMT2AGAAMAPT
SCHEMBL8014728 0.96 GAA (0.35) MEN1HTTKMT2AGAAMAPT
SCHEMBL8004622 0.96 GAA (0.35) MEN1HTTKMT2AGAAMAPT
SCHEMBL8014473 0.96 MAPT (0.39) HTTKMT2AGAAMAPTTP53

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