SCHEMBL24590787

SCHEMBL24590787

CCCNC(=S)NCCCCC(C=O)NC(=O)NC(CCC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 19/20 0.57
▸ RIMKLA Q8IXN7 1/20 0.48
▸ NAALAD2 Q9Y3Q0 1/20 0.48

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 0.91 FOLH1 (0.69) FOLH1RIMKLANAALAD2
SCHEMBL16802273 0.86 FOLH1 (0.69) FOLH1RIMKLANAALAD2
SCHEMBL12836738 0.83 FOLH1 (0.58) FOLH1
SCHEMBL29331330 0.83 FOLH1 (0.62) FOLH1RIMKLANAALAD2
SCHEMBL26723539 0.82 FOLH1 (0.59) FOLH1RIMKLANAALAD2
SCHEMBL11938286 0.81 FOLH1 (0.54) FOLH1RIMKLANAALAD2
SCHEMBL12836404 0.80 FOLH1 (0.57) FOLH1
SCHEMBL12836739 0.79 FOLH1 (0.56) FOLH1
SCHEMBL17019516 0.77 FOLH1 (0.59) FOLH1RIMKLANAALAD2
SCHEMBL14195271 0.76 FOLH1 (0.78) FOLH1RIMKLANAALAD2

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-3222617-B1 PSMA-TARGETING COMPOUNDS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2022-07-06 — — EP disclosed
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