SCHEMBL7109424

SCHEMBL7109424

CN(C(=O)CCCC(=O)O)c1ccc(NC(=O)CCCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
POLB P06746 2/20 0.59
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MCL1 Q07820 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52

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
SCHEMBL7828619 0.88 ALDH1A1 (0.59) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL7813937 0.86 MAPT (0.69) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL7107371 0.82 POLB (0.82) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL11233838 0.81 FOLH1 (0.46) ALDH1A1POLBKMT2AMAPTNFKB1
SCHEMBL7105428 0.81 MEN1 (0.59) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL8612474 0.80 ALDH1A1 (0.51) ALDH1A1MAPTNPC1ALOX15NFKB1
SCHEMBL7110776 0.80 FOLH1 (0.47) ALDH1A1POLBKMT2AMAPTNPC1
SCHEMBL1114979 0.80 FOLH1 (0.47) ALDH1A1POLBMEN1KMT2ARAB9A
SCHEMBL5555256 0.79 KDM4E (0.51) ALDH1A1POLBMEN1KMT2AMAPK1
SCHEMBL11233840 0.78 FOLH1 (0.46) ALDH1A1POLBKMT2AMAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348700-A2 Composition and method for dyeing dye-susceptible material Wella Aktiengesellschaft (DE) 2003-10-01 EP disclosed