SCHEMBL21162263

SCHEMBL21162263

CCCCC[C@H](NC(=O)O[C@@H](CCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 11/20 0.66
NOD1 Q9Y239 4/20 0.48
RIMKLA Q8IXN7 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
SLC6A5 Q9Y345 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
PLA2G2C Q5R387 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL19633812 0.94 FOLH1 (0.66) FOLH1NOD1RIMKLANAALAD2PLA2G2C
SCHEMBL17246764 0.86 FOLH1 (0.64) FOLH1RIMKLANAALAD2SLC6A5
SCHEMBL12349358 0.83 FOLH1 (0.55) FOLH1NOD1RIMKLANAALAD2PLA2G2C
SCHEMBL22539941 0.83 FOLH1 (0.55) FOLH1NOD1RIMKLANAALAD2PLA2G2C
SCHEMBL19611478 0.80 FOLH1 (0.64) FOLH1RIMKLANAALAD2
SCHEMBL19611476 0.80 FOLH1 (0.64) FOLH1RIMKLANAALAD2
SCHEMBL19611479 0.80 FOLH1 (0.64) FOLH1RIMKLANAALAD2
SCHEMBL25360880 0.79 FOLH1 (1.00) FOLH1RIMKLANAALAD2
SCHEMBL25360876 0.79 FOLH1 (1.00) FOLH1RIMKLANAALAD2
SCHEMBL19633801 0.79 FOLH1 (0.57) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3140282-B1 METAL/RADIOMETAL-LABELED PSMA INHIBITORS FOR PSMA-TARGETED IMAGING AND RADIOTHERAPY UNIV JOHNS HOPKINS (US) 2019-07-10 EP disclosed