SCHEMBL16802273

SCHEMBL16802273

CCCCNC(=S)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 19/20 0.69
▸ RIMKLA Q8IXN7 1/20 0.55
▸ NAALAD2 Q9Y3Q0 1/20 0.55

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
SCHEMBL18807688 0.95 FOLH1 (0.69) FOLH1RIMKLANAALAD2
SCHEMBL23252356 0.86 FOLH1 (0.67) FOLH1RIMKLANAALAD2
SCHEMBL24590787 0.86 FOLH1 (0.57) FOLH1RIMKLANAALAD2
SCHEMBL11977636 0.84 FOLH1 (0.72) FOLH1RIMKLANAALAD2
SCHEMBL11977634 0.84 FOLH1 (0.72) FOLH1RIMKLANAALAD2
SCHEMBL18059393 0.84 FOLH1 (0.69) FOLH1RIMKLANAALAD2
SCHEMBL21344719 0.84 FOLH1 (0.72) FOLH1RIMKLANAALAD2
SCHEMBL15003786 0.84 NOD1 (0.65) FOLH1
SCHEMBL10060824 0.84 FOLH1 (0.64) FOLH1
SCHEMBL16645331 0.84 NOD1 (0.65) 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
US-9056841-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-16 — — US disclosed
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