SCHEMBL21387112

SCHEMBL21387112

CCCCCC(CC(=O)NN=O)C(=O)NC(C(=O)N1CCCC1CO)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 4/20 0.47
MMP3 P08254 11/20 0.38
MMP1 P03956 9/20 0.38
MMP2 P08253 8/20 0.38
MMP7 P09237 3/20 0.38
MMP9 P14780 3/20 0.38
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
MMP14 P50281 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDF Q9HBH1 1/20 0.34

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
Actinonin SCHEMBL279122 0.92 BIRC2 (0.56) BIRC2MMP3MMP1MMP2MMP7
Actinonin SCHEMBL14490676 0.92 BIRC2 (0.56) BIRC2MMP3MMP1MMP2MMP7
Actinonin SCHEMBL123273 0.92 BIRC2 (0.56) BIRC2MMP3MMP1MMP2MMP7
Actinonin SCHEMBL12601775 0.92 BIRC2 (0.56) BIRC2MMP3MMP1MMP2MMP7
Actinonin SCHEMBL279450 0.92 BIRC2 (0.56) BIRC2MMP3MMP1MMP2MMP7
SCHEMBL21387785 0.92 BIRC2 (0.46) BIRC2MMP3MMP1MMP2MMP7
SCHEMBL6294118 0.90 BIRC2 (0.55) BIRC2MMP3MMP1MMP2MMP7
SCHEMBL9495973 0.85 BIRC2 (0.44) BIRC2MMP3MMP1DPP4DPP8
SCHEMBL18328823 0.85 MMP3 (0.49) BIRC2MMP3MMP1MMP2MMP7
SCHEMBL21481097 0.84 BIRC2 (0.39) BIRC2MMP3MMP1MMP9DPP4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543349-A1 MOLECULAR KINETICS EVALUATION METHOD AND SCREENING METHOD Tokyo University of Science Foundation (JP) 2019-09-25 EP disclosed
EP-3542824-A1 Ras PROTEIN DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION Tokyo University of Science Foundation (JP) 2019-09-25 EP disclosed