SCHEMBL19463814

SCHEMBL19463814

C=CC(=O)NCCCC[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 20/20 0.64
▸ F13A1 P00488 1/20 0.46
▸ TGM1 P22735 1/20 0.46

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
SCHEMBL19463812 1.00 TGM2 (0.64) TGM2F13A1TGM1
SCHEMBL19463639 0.90 TGM2 (0.65) TGM2F13A1TGM1
SCHEMBL19463905 0.84 TGM2 (0.71) TGM2
SCHEMBL19463907 0.84 TGM2 (0.71) TGM2
SCHEMBL19464178 0.83 TGM2 (0.65) TGM2
SCHEMBL19464177 0.83 TGM2 (0.65) TGM2
SCHEMBL19463278 0.82 TGM2 (0.67) TGM2
SCHEMBL19463277 0.82 TGM2 (0.67) TGM2
SCHEMBL19463817 0.78 TGM2 (1.00) TGM2F13A1TGM1
SCHEMBL22895148 0.78 TGM2 (1.00) TGM2F13A1TGM1

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-3442533-A1 TG2 INHIBITOR COMPOUNDS AND USES THEREOF University Of Ottawa (CA) 2019-02-20 — — EP disclosed
WO-2017179018-A1 TG2 INHIBITOR COMPOUNDS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2017-10-19 — — WO disclosed
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