SCHEMBL8900345

SCHEMBL8900345

O=C(O)c1ccc(NC(=O)c2ccc(C(=O)O)cc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 2/20 0.55
MITF O75030 1/20 0.54
CYP1A2 P05177 1/20 0.53
HPGD P15428 1/20 0.53
FFAR1 O14842 1/20 0.53
HPSE Q9Y251 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GFER P55789 1/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
NHERF1 O14745 1/20 0.49

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
SCHEMBL29233050 1.00 KMT2A (0.59) KMT2AMEN1HSD17B10ALDH1A1MITF
SCHEMBL18132374 0.92 POLB (0.56) KMT2AMEN1HSD17B10ALDH1A1CYP1A2
SCHEMBL27513166 0.92 POLB (0.56) KMT2AMEN1HSD17B10ALDH1A1CYP1A2
SCHEMBL14426507 0.91 ALDH1A1 (0.62) KMT2AMEN1HSD17B10ALDH1A1MITF
SCHEMBL12700356 0.90 HSD17B10 (0.55) KMT2AMEN1HSD17B10ALDH1A1MITF
SCHEMBL18132373 0.90 MEN1 (0.58) KMT2AMEN1HSD17B10ALDH1A1CYP1A2
SCHEMBL6851324 0.90 KMT2A (0.56) KMT2AMEN1HSD17B10ALDH1A1MITF
SCHEMBL3757836 0.89 KMT2A (0.69) KMT2AMEN1HSD17B10ALDH1A1MITF
SCHEMBL9158022 0.89 MEN1 (0.62) KMT2AMEN1HSD17B10ALDH1A1MITF
SCHEMBL9157758 0.89 MEN1 (0.62) KMT2AMEN1HSD17B10ALDH1A1MITF

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-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP disclosed