SCHEMBL8017367

SCHEMBL8017367

CCCCC[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
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
CA2 P00918 1/20 0.33
CCR2 P41597 1/20 0.33
SCN9A Q15858 1/20 0.32
NAAA Q02083 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
SCHEMBL8014357 0.99 MEN1 (0.36) GAAMAPTPKMKMT2AMEN1
SCHEMBL8016987 0.99 MEN1 (0.36) GAAMAPTPKMKMT2AMEN1
SCHEMBL8013908 0.99 MEN1 (0.36) GAAMAPTPKMKMT2AMEN1
SCHEMBL8021281 0.99 MEN1 (0.36) GAAMAPTPKMKMT2AMEN1
SCHEMBL8014666 0.99 MEN1 (0.36) GAAMAPTPKMKMT2AMEN1
SCHEMBL8014731 0.97 GAA (0.35) GAAMAPTPKMKMT2AMEN1
SCHEMBL8004622 0.97 GAA (0.35) GAAMAPTPKMKMT2AMEN1
SCHEMBL8014727 0.97 GAA (0.35) GAAMAPTPKMKMT2AMEN1
SCHEMBL8014728 0.97 GAA (0.35) GAAMAPTPKMKMT2AMEN1
SCHEMBL8014473 0.97 MAPT (0.39) GAAMAPTKMT2AHTTTP53

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