SCHEMBL7777410

SCHEMBL7777410

O=C1C=C(CC=CO)C(=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NSD2 O96028 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN1 P18031 1/20 0.45
PKM P14618 4/20 0.43
CDC25A P30304 4/20 0.43
CDC25B P30305 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
MAPK1 P28482 3/20 0.43
IDO1 P14902 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
ATM Q13315 2/20 0.43
CYP3A4 P08684 2/20 0.43
PLIN1 O60240 1/20 0.43
NR1I2 O75469 1/20 0.43
USP2 O75604 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
SCHEMBL1140705 0.79 MEN1 (0.47) MEN1KMT2ANSD2L3MBTL1PTPN1
Deoxylapachol SCHEMBL2682330 0.78 MEN1 (0.54) MEN1KMT2ANSD2L3MBTL1PTPN1
SCHEMBL25609380 0.78 DHODH (0.54) MEN1KMT2ANSD2L3MBTL1PTPN1
Phosphine SCHEMBL14764881 0.77 MEN1 (0.46) MEN1KMT2ANSD2L3MBTL1PTPN1
SCHEMBL7912021 0.76 PTPN1 (0.52) MEN1KMT2ANSD2L3MBTL1PTPN1
SCHEMBL5810776 0.75 PARK7 (0.58) MEN1KMT2ANSD2L3MBTL1PTPN1
SCHEMBL30673380 0.73 S100A4 (0.53) MEN1KMT2ANSD2L3MBTL1PTPN1
SCHEMBL128020 0.73 S100A4 (0.53) MEN1KMT2ANSD2L3MBTL1PTPN1
SCHEMBL9685830 0.72 PTPN1 (0.52) MEN1KMT2ANSD2L3MBTL1PTPN1
SCHEMBL3275939 0.72 PTPN1 (0.52) MEN1KMT2ANSD2L3MBTL1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574906-B1 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO (JP) 2001-08-22 EP disclosed
WO-2000008495-A2 ANTIPROLIFERATIVE NAPHTHOQUINONES, DERIVATIVES, COMPOSITIONS, AND USES THEREOF UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-02-17 WO disclosed
WO-1997014685-A1 PYRIMIDINE DERIVATIVES GYÓGYSZERKUTATÓ INTÉZET KFT (HU) 1997-04-24 WO disclosed
US-5380724-A Inhibitors of lipid peroxidation GYOGYSZERKUTATO INTEZET KFT (HU) 1995-01-10 US disclosed
EP-0574906-A2 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-12-22 EP disclosed