SCHEMBL18798686

SCHEMBL18798686

CCNC(=O)NCCCC[C@H](NC(=O)NCCCC(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 18/20 0.63
▸ EPHX2 P34913 1/20 0.55
▸ PRMT1 Q99873 1/20 0.50
▸ RIMKLA Q8IXN7 1/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.49

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
SCHEMBL18800235 0.91 FOLH1 (0.76) FOLH1RIMKLANAALAD2
SCHEMBL17190062 0.90 FOLH1 (0.61) FOLH1EPHX2RIMKLANAALAD2
SCHEMBL15762838 0.90 FOLH1 (0.61) FOLH1EPHX2RIMKLANAALAD2
SCHEMBL21321912 0.88 FOLH1 (0.63) FOLH1PRMT1RIMKLANAALAD2
SCHEMBL15158795 0.86 FOLH1 (0.60) FOLH1EPHX2RIMKLANAALAD2
SCHEMBL18307315 0.86 FOLH1 (0.60) FOLH1EPHX2RIMKLANAALAD2
SCHEMBL19341925 0.86 FOLH1 (0.60) FOLH1EPHX2RIMKLANAALAD2
SCHEMBL14330732 0.84 FOLH1 (0.69) FOLH1EPHX2RIMKLANAALAD2
SCHEMBL14549933 0.84 FOLH1 (0.69) FOLH1EPHX2RIMKLANAALAD2
SCHEMBL17190061 0.84 FOLH1 (0.72) FOLH1EPHX2RIMKLANAALAD2

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-9636413-B2 Conjugates for treating diseases caused by PSMA expressing cells ENDOCYTE, INC. (US) 2017-05-02 — — US disclosed
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