SCHEMBL1907653

SCHEMBL1907653

CCCCOC(=O)NC(Cc1ccc(OCSC)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.53
ITGA2B P08514 16/20 0.53
ITGB1 P05556 3/20 0.53
ITGA4 P13612 3/20 0.53

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
SCHEMBL14486103 0.89 ITGB3 (0.56) ITGB3ITGA2BITGB1ITGA4
SCHEMBL14486107 0.89 ITGB3 (0.56) ITGB3ITGA2BITGB1ITGA4
SCHEMBL8485515 0.85 FPR2 (0.54) ITGB3ITGA2BITGB1ITGA4
SCHEMBL2320402 0.85 FPR2 (0.54) ITGB3ITGA2BITGB1ITGA4
SCHEMBL10638413 0.85 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL2252894 0.84 FOLH1 (0.56) ITGB3ITGA2BITGB1ITGA4
SCHEMBL5086266 0.84 ITGB1 (0.56) ITGB3ITGA2BITGB1ITGA4
SCHEMBL2252892 0.84 FOLH1 (0.56) ITGB3ITGA2BITGB1ITGA4
SCHEMBL5085763 0.84 ITGB1 (0.56) ITGB3ITGA2BITGB1ITGA4
SCHEMBL7758997 0.84 ITGB3 (0.58) ITGB3ITGA2BITGB1ITGA4

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-2324357-A1 KIT USEFUL FOR DETECTING, SEPARATING AND/OR CHARACTERIZING A MOLECULE OF INTEREST Polyintell (FR) 2011-05-25 EP disclosed
WO-2010029504-A1 KIT USEFUL FOR DETECTING, SEPARATING AND/OR CHARACTERIZING A MOLECULE OF INTEREST POLYINTELL (FR) 2010-03-18 WO disclosed