SCHEMBL11904538

SCHEMBL11904538

O=C(O)Oc1ccc(OC(=O)O)o1.O=C(O)c1ccc(C(=O)O)o1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL377017 0.87 KMT2A (0.32) TDP1MEN1KMT2AALDH1A1
SCHEMBL38726 0.79 TDP1 (0.61) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL11904537 0.79 TDP1 (0.61) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL6229622 0.78 TDP1 (0.51) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL23727166 0.77 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1HPGD
Fluoride SCHEMBL21331933 0.77 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL18074260 0.77 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1HPGD
Fluoride SCHEMBL20513066 0.77 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1HPGD
Bromide SCHEMBL20513084 0.77 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL16240294 0.77 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1HPGD

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-2220021-B1 Process for the preparation of terephthalic acid BP CORP NORTH AMERICA INC (US) 2012-08-15 EP claimed