SCHEMBL4683262

SCHEMBL4683262

COc1cc(O)ccc1Oc1ccc(NC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
RAB9A P51151 3/20 0.53
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
AR P10275 2/20 0.49
PGR P06401 1/20 0.49
MTNR1B P49286 1/20 0.48
TTR P02766 1/20 0.48
PDGFRA P16234 3/20 0.46
KDR P35968 3/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 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
SCHEMBL4687674 0.82 RAB9A (0.51) MEN1KMT2ARAB9AGAAHTT
SCHEMBL9623896 0.81 LTA4H (0.57) MEN1KMT2AGAAHTTAR
SCHEMBL4687895 0.80 MEN1 (0.60) MEN1KMT2ARAB9AGAAHTT
SCHEMBL4687907 0.78 MEN1 (0.58) MEN1KMT2ARAB9AGAAHTT
SCHEMBL4687906 0.78 MEN1 (0.58) MEN1KMT2ARAB9AGAAHTT
SCHEMBL5149842 0.76 PKM (0.63) MEN1KMT2ARAB9AGAAHTT
SCHEMBL4683708 0.76 PKM (0.63) MEN1KMT2ARAB9AGAAHTT
SCHEMBL1030576 0.76 CYP1A2 (0.65) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL11394952 0.76 NPC1 (0.66) MEN1KMT2ARAB9AGAAHTT
SCHEMBL4233394 0.75 MAOB (0.53) HTTARTTRALDH1A1SMN1; SMN2

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
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed