SCHEMBL9513595

SCHEMBL9513595

O=S(=O)(NCC(c1ccccc1)c1ccc(O)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 2/20 0.59
▸ MAPT P10636 7/20 0.51
▸ TP53 P04637 5/20 0.51
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ PARP1 P09874 1/20 0.47
▸ GRIA4 P48058 1/20 0.47
▸ UQCRB P14927 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ XBP1 P17861 1/20 0.46

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
SCHEMBL9765326 0.86 GRIA4 (0.63) GBA1MAPTTP53KMT2AMEN1
SCHEMBL9512068 0.79 TBXA2R (0.63) GBA1MAPTTP53KMT2AMEN1
SCHEMBL29554998 0.76 TP53 (0.55) GBA1MAPTTP53KMT2AMEN1
SCHEMBL28404275 0.75 GBA1 (0.61) GBA1MAPTTP53KMT2AMEN1
SCHEMBL4986251 0.75 GBA1 (1.00) GBA1MAPTTP53KMT2AMEN1
SCHEMBL12949528 0.73 GBA1 (0.58) GBA1MAPTTP53KMT2AMEN1
SCHEMBL29555017 0.73 MAPT (0.52) GBA1MAPTTP53KMT2AMEN1
SCHEMBL174302 0.73 GBA1 (0.57) GBA1MAPTTP53KMT2AGRIA4
SCHEMBL28023600 0.73 ALDH1A1 (0.67) GBA1KMT2AMEN1GAALMNA
SCHEMBL13508355 0.73 GBA1 (0.57) GBA1MAPTTP53KMT2AGRIA4

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-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 — — EP disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 — — US disclosed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 — — EP disclosed
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