SCHEMBL29679198

SCHEMBL29679198

O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 14/20 0.74
▸ NAALAD2 Q9Y3Q0 2/20 0.59
▸ SIRT5 Q9NXA8 1/20 0.58
▸ CPB1 P15086 1/20 0.58
▸ CPB2 Q96IY4 1/20 0.58
▸ SIRT2 Q8IXJ6 1/20 0.54
▸ SIRT1 Q96EB6 1/20 0.54

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
SCHEMBL19066644 0.96 FOLH1 (0.79) FOLH1NAALAD2SIRT5CPB1CPB2
SCHEMBL2873941 0.86 MME (0.63) FOLH1NAALAD2
SCHEMBL14778231 0.86 MME (0.63) FOLH1NAALAD2
SCHEMBL14729484 0.85 FOLH1 (1.00) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL18161459 0.85 FOLH1 (1.00) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL18145488 0.85 FOLH1 (1.00) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL19742200 0.85 FOLH1 (1.00) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL31514306 0.85 NAALAD2 (0.66) FOLH1NAALAD2
SCHEMBL31514303 0.85 NAALAD2 (0.66) FOLH1NAALAD2
SCHEMBL31514298 0.83 FOLH1 (0.69) FOLH1NAALAD2

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-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 — — EP disclosed
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