SCHEMBL8021671

SCHEMBL8021671

CC[C@H]1CC[C@H]([C@H]2CC[C@H](CO[C@H]3CC[C@H](C(=O)Oc4cc(F)c(F)c(F)c4)CC3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.34
CA2 P00918 1/20 0.34
HTT P42858 2/20 0.33
HCRTR2 O43614 1/20 0.32
F2 P00734 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACACB O00763 1/20 0.31
CYP19A1 P11511 1/20 0.31
SCN9A Q15858 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
SCHEMBL8016126 1.00 GPR119 (0.34) GPR119CA2HTTHCRTR2F2
SCHEMBL8016127 1.00 GPR119 (0.34) GPR119CA2HTTHCRTR2F2
SCHEMBL8016132 1.00 GPR119 (0.34) GPR119CA2HTTHCRTR2F2
SCHEMBL8004608 0.97 CA2 (0.35) GPR119CA2HTTHCRTR2F2
SCHEMBL8013507 0.91 GPR119 (0.33) GPR119CA2HTTHCRTR2F2
SCHEMBL14274428 0.91 HTT (0.37) CA2HTTF2POLBKMT2A
SCHEMBL8018347 0.89 MAPT (0.37) GPR119CA2HTTPOLBKMT2A
SCHEMBL8013502 0.89 KDM4E (0.33) GPR119CA2HTTKMT2A
SCHEMBL8014704 0.89 MAPT (0.37) GPR119CA2HTTPOLBKMT2A
SCHEMBL8014695 0.89 MAPT (0.37) GPR119CA2HTTPOLBKMT2A

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