SCHEMBL13711557

SCHEMBL13711557

COC(=O)NCCCCC(NC(=O)OC)C(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 20/20 0.45
▸ F13A1 P00488 2/20 0.42
▸ TGM1 P22735 2/20 0.42
▸ TGM6 O95932 1/20 0.42

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
SCHEMBL13674472 0.92 TGM2 (0.46) TGM2F13A1TGM1TGM6
SCHEMBL13674476 0.90 ACHE (0.43) TGM2F13A1TGM1TGM6
SCHEMBL13674663 0.85 TGM2 (0.43) TGM2F13A1TGM1TGM6
SCHEMBL14445101 0.85 TGM2 (0.41) TGM2F13A1TGM1TGM6
SCHEMBL13671325 0.84 MEN1 (0.50) TGM2
SCHEMBL13498637 0.81 ITGB3 (0.42) TGM2F13A1TGM1
SCHEMBL16072730 0.80 ITGB3 (0.42) TGM2F13A1TGM1
SCHEMBL13057085 0.78 FOLH1 (0.51) TGM2
SCHEMBL10017794 0.78 FOLH1 (0.51) TGM2
SCHEMBL13674665 0.78 TGM2 (0.43) 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
US-7595318-B2 Polyethylene glycol conjugates of heterocycloalkyl carboxamido propanoic acids ELAN PHARMACEUTICALS, INC. (US) 2009-09-29 — — US disclosed
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