SCHEMBL18516754

SCHEMBL18516754

O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCCC(=O)NC(CCCCNC(=O)CCc1cn(Cc2ccc(F)cc2)nn1)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 19/20 0.64
▸ HDAC1 Q13547 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
SCHEMBL18516784 0.96 FOLH1 (0.67) FOLH1HDAC1
SCHEMBL18516681 0.86 FOLH1 (0.82) FOLH1
SCHEMBL18516783 0.84 FOLH1 (0.59) FOLH1HDAC1
SCHEMBL18516748 0.83 FOLH1 (0.69) FOLH1
SCHEMBL23710805 0.82 FOLH1 (0.86) FOLH1
SCHEMBL21176294 0.82 FOLH1 (0.86) FOLH1
SCHEMBL18516752 0.82 FOLH1 (0.86) FOLH1
SCHEMBL18516755 0.81 FOLH1 (0.73) FOLH1
SCHEMBL18516769 0.80 FOLH1 (0.75) FOLH1
SCHEMBL18145415 0.79 FOLH1 (1.00) 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
WO-2017027870-A1 TRIAZOLE CONJUGATED UREAS, THIOUREAS, CARBAMATES, AND \"REVERSED\" CARBAMATES FOR PSMA-TARGETED IMAGING AGENTS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-16 — — WO disclosed
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