SCHEMBL7435403

SCHEMBL7435403

COC(=O)[C@H](CNC(=O)C(C)(C)C)NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
ITGAV P06756 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42

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
SCHEMBL7435396 1.00 POLB (0.47) POLBITGB3ITGA2BALDH1A1MAPT
SCHEMBL7400840 0.85 SYK (0.46) POLBITGB3ITGA2BALDH1A1MAPT
SCHEMBL7400842 0.85 SYK (0.46) POLBITGB3ITGA2BALDH1A1MAPT
SCHEMBL1735671 0.79 POLB (0.51) POLBALDH1A1MEN1KMT2AMMP2
SCHEMBL1737163 0.79 POLB (0.51) POLBALDH1A1MEN1KMT2AMMP2
SCHEMBL10076124 0.79 POLB (0.51) POLBALDH1A1MEN1KMT2AMMP2
Hydrochloric Acid SCHEMBL9052332 0.79 POLB (0.46) POLBALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9052327 0.79 POLB (0.46) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL7752666 0.79 MMP2 (0.45) POLBITGB3ITGA2BITGAVMMP2
SCHEMBL7377406 0.78 ITGB3 (0.48) ITGB3ITGA2BALDH1A1MAPTITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786373-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-07-28 US disclosed
EP-0667773-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-09-25 EP disclosed
EP-0667773-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-08-23 EP disclosed
WO-1994008577-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-04-28 WO disclosed