SCHEMBL3864254

SCHEMBL3864254

NN(CCC(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
MAPK1 P28482 1/20 0.44
APOBEC3G Q9HC16 1/20 0.42
HTT P42858 1/20 0.42
HSD11B1 P28845 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 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
SCHEMBL7459644 0.85 KEAP1 (0.53) ALDH1A1KEAP1NFE2L2HTTKMT2A
SCHEMBL9188651 0.81 APOBEC3G (0.50) KEAP1NFE2L2MAPK1APOBEC3GHSD11B1
SCHEMBL8742342 0.81 TDP1 (0.42) TBXA2RALDH1A1KEAP1NFE2L2MAPK1
SCHEMBL11796476 0.80 MAPK1 (0.53) TBXA2RALDH1A1KEAP1NFE2L2MAPK1
SCHEMBL7154115 0.80 SMN1; SMN2 (0.50) ALDH1A1MAPK1HSD11B1TDP1KMT2A
SCHEMBL7980856 0.79 MAPK1 (0.40) MAPK1HSD11B1TDP1KMT2A
SCHEMBL11793418 0.79 MAPK1 (0.55) TBXA2RALDH1A1MAPK1HTTTDP1
SCHEMBL18837940 0.78 TDP1 (0.58) APOBEC3GHTTTDP1KMT2A
SCHEMBL11797446 0.77 MAPK1 (0.54) TBXA2RALDH1A1MAPK1HTTTDP1
SCHEMBL2006245 0.77 ESR1 (0.60) KEAP1NFE2L2MAPK1HTTKMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047425-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-04-22 EP disclosed
CN-1589145-A Alpha v integrin receptor antagonists MERCK & CO INC (US) 2005-03-02 CN disclosed
EP-1044001-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-29 EP disclosed
EP-1007026-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1100506-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-06-26 EP disclosed
EP-1105389-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-10-17 EP disclosed
EP-1105389-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-06-13 EP disclosed
EP-1100506-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-05-23 EP disclosed
EP-0946165-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2001-04-11 EP disclosed
EP-1047425-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-11-02 EP disclosed
WO-2000009503-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-24 WO disclosed
WO-2000006169-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO disclosed
EP-0946165-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 1999-10-06 EP disclosed
WO-1999030713-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed
WO-1999030709-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed
WO-1999031099-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed
WO-1998046220-A1 COMBINATION THERAPY FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS MERCK & CO., INC. (US) 1998-10-22 WO disclosed
WO-1998031359-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-07-23 WO disclosed
WO-1998018460-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-05-07 WO disclosed