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Sugi Predict / Compounds / SCHEMBL29679452

SCHEMBL29679452

SCHEMBL29679452

COc1c(C[C@@H](NC(=O)C2CCC(CN)CC2)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)ccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 12/20 0.62
▸ PLG P00747 8/20 0.51
▸ PRSS1 P07477 8/20 0.51
▸ PRSS2 P07478 8/20 0.51
▸ PRSS3 P35030 8/20 0.51
▸ PLAU P00749 2/20 0.45

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
SCHEMBL29679421 0.89 FOLH1 (0.64) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679146 0.87 FOLH1 (0.83) FOLH1
SCHEMBL29679335 0.87 FOLH1 (0.83) FOLH1
SCHEMBL29679166 0.87 PLG (0.48) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679122 0.85 FOLH1 (0.61) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL23553003 0.84 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679477 0.84 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679057 0.84 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL28659047 0.84 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL26090338 0.84 FOLH1 (0.76) FOLH1PLGPRSS1PRSS2PRSS3

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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