SCHEMBL19748432

SCHEMBL19748432

O=C(O)CC[C@H](NC(=O)NCCC[C@@H](CC(=O)O)NC(=O)Cc1ccc(I)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 19/20 0.59
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47

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
SCHEMBL19748784 0.91 FOLH1 (0.59) FOLH1ITGB3ITGA2B
SCHEMBL19748823 0.90 FOLH1 (0.61) FOLH1
SCHEMBL19748291 0.87 FOLH1 (0.69) FOLH1
SCHEMBL19754087 0.84 FOLH1 (0.67) FOLH1
SCHEMBL19743111 0.82 FOLH1 (0.72) FOLH1
SCHEMBL19743110 0.82 FOLH1 (0.72) FOLH1
SCHEMBL11977608 0.80 FOLH1 (0.84) FOLH1
SCHEMBL13559320 0.79 FOLH1 (0.72) FOLH1
SCHEMBL23077794 0.79 FOLH1 (0.82) FOLH1
SCHEMBL11977609 0.78 FOLH1 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3474903-A1 DOUBLE TARGETED CONSTRUCTS TO AFFECT TUMOR KILL Cornell University (US) 2019-05-01 — — EP disclosed
WO-2017223357-A1 DOUBLE TARGETED CONSTRUCTS TO AFFECT TUMOR KILL CORNELL UNIVERSITY (US) 2017-12-28 — — WO disclosed
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