SCHEMBL5577137

SCHEMBL5577137

Nc1ccc(CNC(CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.48
ITGB1 P05556 4/20 0.48
ITGA5 P08648 4/20 0.48
NAALAD2 Q9Y3Q0 3/20 0.47
ITGB3 P05106 3/20 0.46
ITGAV P06756 3/20 0.46
FOLH1 Q04609 9/20 0.45
RIMKLA Q8IXN7 1/20 0.43
DHFR P00374 1/20 0.43
GGH Q92820 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
SCHEMBL5577139 1.00 MEP1B (0.48) MEP1BITGB1ITGA5NAALAD2ITGB3
SCHEMBL10421273 0.87 NAALAD2 (0.45) MEP1BNAALAD2FOLH1RIMKLADHFR
SCHEMBL869873 0.85 NAALAD2 (0.60) MEP1BNAALAD2FOLH1RIMKLAGGH
SCHEMBL1818651 0.85 NAALAD2 (0.60) MEP1BNAALAD2FOLH1RIMKLAGGH
SCHEMBL3387298 0.85 NAALAD2 (0.60) MEP1BNAALAD2FOLH1RIMKLAGGH
SCHEMBL8612645 0.84 FFAR1 (0.50) MEP1BNAALAD2FOLH1RIMKLA
SCHEMBL6566486 0.84 FOLH1 (0.61) MEP1BNAALAD2FOLH1
SCHEMBL11586552 0.84 ITGB1 (0.50) MEP1BITGB1ITGA5ITGB3ITGAV
SCHEMBL1097115 0.82 ITGB1 (0.51) MEP1BITGB1ITGA5ITGB3ITGAV
SCHEMBL29788283 0.81 ALDH1A1 (0.50) MEP1BNAALAD2FOLH1RIMKLAGGH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101973995-A Method for recycling waste water in production of folic acid SHANGHAI ECUST BIOMEDICINE CO LTD 2011-02-16 CN disclosed
US-20070141635-A1 Novel translocation assay GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2007-06-21 US disclosed
EP-0416232-B1 Stable injectable pharmaceutical formulation for folic acid and leucovorin salts and method AMERICAN CYANAMID CO (US) 1995-08-16 EP disclosed
US-5173488-A Tromethamine and monothioglycerol as buffers and antioxidants AMERICAN CYANAMID COMPANY (US) 1992-12-22 US disclosed
EP-0416232-A2 Stable injectable pharmaceutical formulation for folic acid and leucovorin salts and method AMERICAN CYANAMID COMPANY (US) 1991-03-13 EP disclosed