SCHEMBL22852572

SCHEMBL22852572

NC[C@H](NC(=O)CCCN1C(=O)C=CC1O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.34
▸ C3AR1 Q16581 1/20 0.32
▸ FNTA P49354 3/20 0.32
▸ FNTB P49356 3/20 0.32
▸ GNPAT O15228 1/20 0.32
▸ ITGB3 P05106 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ NOD1 Q9Y239 3/20 0.32
▸ SLC6A5 Q9Y345 1/20 0.31
▸ FOLH1 Q04609 1/20 0.30
▸ GART P22102 1/20 0.30

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
SCHEMBL22044568 0.82 PTGS1 (0.36) NPSR1FNTAFNTBITGB3ITGA2B
SCHEMBL22044504 0.79 PTGS1 (0.46) NPSR1C3AR1FNTAFNTBGNPAT
SCHEMBL21727091 0.78 FAAH (0.43) SLC6A5
SCHEMBL18626096 0.77 NOD1 (0.40) NOD1SLC6A5FOLH1
SCHEMBL22388826 0.77 NOD1 (0.39) NPSR1NOD1SLC6A5
SCHEMBL21153657 0.76 EPHX2 (0.42) NPSR1FNTAFNTB
SCHEMBL23583708 0.76 MEN1 (0.45) NPSR1
SCHEMBL22843961 0.75 PTGS1 (0.32) —
SCHEMBL18402748 0.75 PTGS1 (0.46) —
SCHEMBL20442394 0.74 ALDH1A1 (0.37) —

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-2020258893-A1 A FORMULATION OF A CONJUGATE OF A TUBULYSIN ANALOG TO A CELL-BINDING MOLECULE HANGZHOU DAC BIOTECH CO., LTD (CN) 2020-12-30 — — WO disclosed
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