SCHEMBL7749783

SCHEMBL7749783

CC=CCc1[nH]c2ccccc2c1C1=C(O)C(=O)C(c2c(CC=CC)[nH]c3ccccc23)=C(O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2D6 P10635 1/20 0.39
GAA P10253 1/20 0.37
MAP2 P11137 1/20 0.37
DAO P14920 1/20 0.36
DDO Q99489 1/20 0.36
MAPT P10636 5/20 0.36
HPGD P15428 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6256453 0.84 MAPT (0.48) MEN1KMT2ACYP2D6DAODDO
SCHEMBL6258044 0.84 MEN1 (0.44) MEN1KMT2ACYP2D6GAADAO
SCHEMBL6252288 0.82 NPEPPS (0.43) MEN1KMT2AGAADAODDO
SCHEMBL6257929 0.80 KDM4E (0.50) MEN1KMT2ACYP2D6GAADAO
SCHEMBL6258039 0.78 ALDH1A1 (0.37) MEN1KMT2ACYP2D6GAADAO
SCHEMBL6255563 0.77 KDM4E (0.52) CYP2D6GAAHPGDRAB9AKDM4E
SCHEMBL7562054 0.77 ALDH1A1 (0.40) MEN1KMT2ACYP2D6GAADAO
SCHEMBL6254129 0.76 DHODH (0.49) MEN1KMT2ACYP2D6GAADAO
SCHEMBL6257893 0.76 MEN1 (0.39) MEN1KMT2ACYP2D6GAAMAPT
SCHEMBL7230303 0.76 MEN1 (0.43) MEN1KMT2AMAPTSMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831809-A4 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS SUGEN INC (US) 2001-11-28 EP claimed
EP-0831809-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS Sugen, Inc. (US) 1998-04-01 EP claimed
WO-1996040115-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS SUGEN, INC. (US) 1996-12-19 WO claimed