SCHEMBL4740981

SCHEMBL4740981

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
PKM P14618 2/20 0.54
GAA P10253 2/20 0.54
CTSV O60911 2/20 0.52
CTSL P07711 2/20 0.52
MAPT P10636 5/20 0.47
NPC1 O15118 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
MYOC Q99972 1/20 0.47
HSP90AA1 P07900 1/20 0.47
PAX8 Q06710 1/20 0.47
PYGL P06737 3/20 0.45
TBXA2R P21731 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL5170350 0.94 MEN1 (0.48) MEN1KMT2APKMGAACTSV
SCHEMBL28844748 0.86 KMT2A (0.73) MEN1KMT2APKMGAAMAPT
SCHEMBL4232458 0.84 CYP17A1 (0.41) MEN1KMT2APKMGAAMMP1
SCHEMBL4743512 0.82 HPGD (0.41) MEN1KMT2AGAAMAPTNPC1
SCHEMBL1532248 0.79 KMT2A (0.59) MEN1KMT2AGAAMAPTNPC1
SCHEMBL6590677 0.79 CTSV (0.67) MEN1KMT2APKMGAACTSV
SCHEMBL4683961 0.77 MAPK1 (0.41) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL29130752 0.77 AKR1C3 (0.43) MEN1KMT2AGAAMAPTAKR1C3
SCHEMBL5214063 0.77 MAPT (0.57) MEN1KMT2AGAACTSVCTSL
SCHEMBL29730718 0.77 MEN1 (0.57) MEN1KMT2AMAPTNPC1MAPK1

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