SCHEMBL31033018

SCHEMBL31033018

C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 20/20 1.00
▸ F13A1 P00488 2/20 0.67
▸ TGM1 P22735 2/20 0.67
▸ TGM6 O95932 1/20 0.67

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
SCHEMBL22895108 1.00 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL19463642 0.92 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL22895107 0.92 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL22895106 0.87 TGM2 (1.00) TGM2
SCHEMBL31032974 0.87 TGM2 (1.00) TGM2
SCHEMBL15619631 0.86 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL19480311 0.86 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL29359298 0.86 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL19463817 0.86 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL22895148 0.86 TGM2 (1.00) TGM2F13A1TGM1TGM6

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-3442533-B1 TG2 INHIBITOR COMPOUNDS AND USES THEREOF UNIV OTTAWA (CA) 2024-08-07 — — EP disclosed
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