SCHEMBL7019446

SCHEMBL7019446

O=C(O)C(=Cc1ccc(OCCn2c(=O)oc3ccccc32)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.61
TSHR P16473 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 6/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
MAPT P10636 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HPGD P15428 2/20 0.57
POLB P06746 3/20 0.52
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL6475863 0.86 L3MBTL1 (0.57) RAB9ATSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6477711 0.86 SIGMAR1 (0.56) RAB9ATSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6485660 0.84 RAB9A (0.61) RAB9ATSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6485663 0.84 RAB9A (0.61) RAB9ATSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6483700 0.84 KDM4E (0.43) RAB9ATSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6477010 0.83 TSHR (0.66) RAB9ATSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6476905 0.79 TSHR (0.62) RAB9ATSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6487303 0.78 RAB9A (0.70) RAB9ATSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6477456 0.77 SIGMAR1 (0.55) RAB9ATSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9534830 0.75 HPGD (0.58) RAB9ATSHRSMN1; SMN2ALDH1A1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP claimed
EP-1252150-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2002-10-30 EP claimed
WO-2001057002-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2001-08-09 WO claimed
EP-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP disclosed
EP-1252150-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2002-10-30 EP disclosed
WO-2001057002-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2001-08-09 WO disclosed