SCHEMBL6851722

SCHEMBL6851722

Cc1cc(C)c(S(=O)(=O)NC(CCCNC(=N)N)C(=O)O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.51
ITGA2B P08514 6/20 0.51
ITGAV P06756 15/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
ITGB1 P05556 3/20 0.45
ITGA5 P08648 3/20 0.45
ITGB5 P18084 3/20 0.45
FABP4 P15090 1/20 0.43
BMP1 P13497 1/20 0.43

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
SCHEMBL6851727 1.00 ITGB3 (0.51) ITGB3ITGA2BITGAVL3MBTL1ITGB1
Ethyl Acetate SCHEMBL9842134 0.91 ITGB3 (0.44) ITGB3ITGA2BITGAVL3MBTL1ITGB1
SCHEMBL9191989 0.89 BMP1 (0.44) ITGB3ITGA2BITGAVITGB1ITGA5
Hydrochloric Acid SCHEMBL9188432 0.88 BMP1 (0.43) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL4959733 0.84 ITGB3 (0.48) ITGB3ITGA2BL3MBTL1
SCHEMBL1509780 0.84 AVPR1B (0.54) ITGB3ITGA2BBMP1
SCHEMBL1509781 0.84 AVPR1B (0.54) ITGB3ITGA2BBMP1
SCHEMBL7898282 0.84 AVPR1B (0.54) ITGB3ITGA2BBMP1
SCHEMBL30007346 0.84 AVPR1B (0.54) ITGB3ITGA2BBMP1
SCHEMBL9842188 0.84 NR3C1 (0.46) ITGB3ITGA2BITGAVL3MBTL1ITGB1

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
EP-0942900-A4 STEREOSPECIFIC PREPARATION OF CHIRAL 1-ARYL- AND 1-HETEROARYL-2-SUBSTITUTED ETHYL-2-AMINES AVENTIS PHARM PROD INC (US) 2004-08-04 EP disclosed
US-6433172-B1 CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS AVENTIS PHARMACEUTICALS INC. 2002-08-13 US disclosed
EP-0942900-A1 STEREOSPECIFIC PREPARATION OF CHIRAL 1-ARYL- AND 1-HETEROARYL-2-SUBSTITUTED ETHYL-2-AMINES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-22 EP disclosed
WO-1998011064-A1 STEREOSPECIFIC PREPARATION OF CHIRAL 1-ARYL- AND 1-HETEROARYL-2-SUBSTITUTED ETHYL-2-AMINES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-03-19 WO disclosed