SCHEMBL6860643

SCHEMBL6860643

O=C(NCCCCC(NC(=O)OCc1ccccc1)C(=O)N1CCNCCN(C(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CCN(C(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CC1)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 20/20 0.69
F13A1 P00488 2/20 0.63
TGM1 P22735 2/20 0.63
TGM6 O95932 1/20 0.63

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
SCHEMBL6860647 1.00 TGM2 (0.69) TGM2F13A1TGM1TGM6
SCHEMBL7689657 0.85 TGM2 (0.67) TGM2F13A1TGM1TGM6
SCHEMBL7690037 0.85 DPP8 (0.54) TGM2
SCHEMBL31033062 0.82 TGM2 (1.00) TGM2F13A1TGM1TGM6
SCHEMBL2577375 0.81 ITGB3 (0.65) TGM2F13A1TGM1TGM6
SCHEMBL2577379 0.81 ITGB3 (0.65) TGM2F13A1TGM1TGM6
SCHEMBL28290510 0.81 ITGB3 (0.61) TGM2F13A1TGM1TGM6
SCHEMBL28290512 0.81 ITGB3 (0.61) TGM2F13A1TGM1TGM6
SCHEMBL17007584 0.81 TGM2 (0.83) TGM2F13A1TGM1TGM6
SCHEMBL17007552 0.81 TGM2 (0.83) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946525-B1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AG (DE) 2004-04-07 EP disclosed
US-6045776-A Process for the production of metal-complex carboxylic acid amides SCHERING AKTIENGESELLSCHAFT (DE) 2000-04-04 US disclosed
EP-0946525-A1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AKTIENGESELLSCHAFT (DE) 1999-10-06 EP disclosed
WO-1998024775-A1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AKTIENGESELLSCHAFT (DE) 1998-06-11 WO disclosed