SCHEMBL5579743

SCHEMBL5579743

CC(=O)NC(CCC(N)=O)C(=O)NC(C)C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
BMP1 P13497 1/20 0.37
TASP1 Q9H6P5 1/20 0.37
SIRT5 Q9NXA8 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GNPAT O15228 1/20 0.35
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
ELANE P08246 1/20 0.33
CPA1 P15085 1/20 0.33
CPA2 P48052 1/20 0.33
CPA4 Q9UI42 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL1764311 0.80 SIRT5 (0.51) DPP4DPP8DPP9BMP1TASP1
SCHEMBL1764312 0.80 SIRT5 (0.51) DPP4DPP8DPP9BMP1TASP1
SCHEMBL1682360 0.79 ALDH1A1 (0.43) DPP4DPP8DPP9BMP1TASP1
SCHEMBL1764514 0.79 GNPAT (0.54) BMP1TASP1SIRT5ALDH1A1GNPAT
SCHEMBL7947817 0.79 DPP8 (0.61) DPP4DPP8DPP9BMP1ALOX15
SCHEMBL1764511 0.79 GNPAT (0.54) BMP1TASP1SIRT5ALDH1A1GNPAT
SCHEMBL7947818 0.79 DPP8 (0.61) DPP4DPP8DPP9BMP1ALOX15
SCHEMBL11933753 0.78 BMP1 (0.55) DPP4DPP8DPP9BMP1SIRT5
SCHEMBL17849546 0.77 ALDH1A1 (0.39) ALDH1A1GNPATSIRT6SIRT1KDM4E
SCHEMBL7857411 0.76 TASP1 (0.43) DPP4DPP8DPP9BMP1TASP1

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-2012061590-A1 CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES IMMUNOGEN, INC. (US) 2012-05-10 WO disclosed