SCHEMBL6901936

SCHEMBL6901936

C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C34CCCC5CC(CC5C3)C4)CC2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 19/20 0.58
TGM2 P21980 19/20 0.58
TGM1 P22735 19/20 0.58
TGM6 O95932 1/20 0.58
TGM3 Q08188 1/20 0.46
EPHX2 P34913 1/20 0.40

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
SCHEMBL1874743 0.89 TGM2 (0.72) F13A1TGM2TGM1TGM6TGM3
SCHEMBL14915727 0.79 TGM2 (0.72) F13A1TGM2TGM1TGM6TGM3
SCHEMBL1878169 0.78 TGM2 (0.69) F13A1TGM2TGM1TGM6TGM3
SCHEMBL6902118 0.77 TGM2 (0.46) F13A1TGM2TGM1TGM6TGM3
SCHEMBL14915749 0.77 F13A1 (0.76) F13A1TGM2TGM1TGM3
SCHEMBL1871105 0.74 F13A1 (1.00) F13A1TGM2TGM1TGM6
SCHEMBL1871356 0.73 TGM2 (1.00) F13A1TGM2TGM1TGM3EPHX2
SCHEMBL1869225 0.72 F13A1 (0.67) F13A1TGM2TGM1TGM3EPHX2
SCHEMBL1873564 0.66 TGM2 (0.72) F13A1TGM2TGM1TGM6
SCHEMBL14915308 0.66 F13A1 (0.74) F13A1TGM2TGM1TGM3

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-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO disclosed