SCHEMBL6566486

SCHEMBL6566486

O=C(O)CC[C@H](NCc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.61
FFAR1 O14842 1/20 0.50
MEP1B Q16820 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
NAALAD2 Q9Y3Q0 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL869873 0.85 NAALAD2 (0.60) FOLH1MEP1BMMP9NAALAD2GAA
SCHEMBL1818651 0.85 NAALAD2 (0.60) FOLH1MEP1BMMP9NAALAD2GAA
SCHEMBL3387298 0.85 NAALAD2 (0.60) FOLH1MEP1BMMP9NAALAD2GAA
SCHEMBL5577137 0.84 MEP1B (0.48) FOLH1MEP1BNAALAD2
SCHEMBL5577139 0.84 MEP1B (0.48) FOLH1MEP1BNAALAD2
SCHEMBL8612645 0.84 FFAR1 (0.50) FOLH1FFAR1MEP1BNAALAD2
SCHEMBL1096205 0.82 ALDH1A1 (0.51) FOLH1FFAR1ALDH1A1LMNAMMP2
SCHEMBL28805317 0.82 ALDH1A1 (0.51) FOLH1ALDH1A1LMNAMEN1KMT2A
SCHEMBL11361690 0.82 PPARG (0.52) ALDH1A1LMNAMEN1KMT2A
SCHEMBL29788283 0.81 ALDH1A1 (0.50) FOLH1MEP1BALDH1A1LMNANAALAD2

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-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed