SCHEMBL13674665

SCHEMBL13674665

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 16/20 0.43
▸ P2RY12 Q9H244 4/20 0.39
▸ TGM6 O95932 1/20 0.37
▸ F13A1 P00488 1/20 0.37
▸ TGM1 P22735 1/20 0.37

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
SCHEMBL13674663 0.92 TGM2 (0.43) TGM2P2RY12TGM6F13A1TGM1
SCHEMBL13674472 0.87 TGM2 (0.46) TGM2TGM6F13A1TGM1
SCHEMBL13711557 0.78 TGM2 (0.45) TGM2TGM6F13A1TGM1
SCHEMBL13671325 0.78 MEN1 (0.50) TGM2
SCHEMBL13674476 0.76 ACHE (0.43) TGM2TGM6F13A1TGM1
SCHEMBL14445101 0.74 TGM2 (0.41) TGM2TGM6F13A1TGM1
SCHEMBL13167107 0.73 SIRT1 (0.44) —
SCHEMBL13498637 0.73 ITGB3 (0.42) TGM2F13A1TGM1
SCHEMBL31644317 0.72 EPHX1 (0.50) TGM2
SCHEMBL13311506 0.72 SIRT1 (0.41) —

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-7605166-B2 Synergistic mixture of methotrexate and integrin antigen or antibody ELAN PHARMACEUTICALS INC. (US) 2009-10-20 — — US disclosed
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