SCHEMBL1387645

SCHEMBL1387645

CCCOC(=O)NC(CCC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 13/20 0.55
NAALAD2 Q9Y3Q0 2/20 0.55
RIMKLA Q8IXN7 1/20 0.55
GGH Q92820 1/20 0.44
NOD1 Q9Y239 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
SCHEMBL1387945 1.00 FOLH1 (0.55) FOLH1NAALAD2RIMKLAGGHNOD1
SCHEMBL1387643 1.00 FOLH1 (0.55) FOLH1NAALAD2RIMKLAGGHNOD1
SCHEMBL7447157 0.90 FOLH1 (0.51) FOLH1NAALAD2RIMKLANOD1
SCHEMBL16124669 0.89 NOD1 (0.51) FOLH1NAALAD2RIMKLANOD1
Tromethamine SCHEMBL1387532 0.89 FOLH1 (0.45) FOLH1NAALAD2RIMKLA
SCHEMBL10036530 0.88 NOD1 (0.53) FOLH1NAALAD2RIMKLANOD1
SCHEMBL16124659 0.88 NOD1 (0.53) FOLH1NAALAD2RIMKLANOD1
SCHEMBL9828838 0.88 NOD1 (0.49) FOLH1NOD1
SCHEMBL14570048 0.85 FOLH1 (0.53) FOLH1NAALAD2RIMKLAGGH
SCHEMBL9830451 0.85 NOD1 (0.47) FOLH1NOD1

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
JP-H09507236-A 1997-07-22 JP claimed
EP-0737197-A1 AMINO ALKANOIC ESTERS OF RAPAMYCIN AMERICAN HOME PRODUCTS CORPORATION (US) 1996-10-16 EP claimed
WO-1995018133-A1 AMINO ALKANOIC ESTERS OF RAPAMYCIN AMERICAN HOME PRODUCTS CORPORATION (US) 1995-07-06 WO claimed
US-5389639-A Immunosuppressants AMERICAN HOME PRODUCTS COMPANY (US) 1995-02-14 US disclosed