SCHEMBL20495355

SCHEMBL20495355

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL28351049 0.84 ALDH1A1 (0.41) LMNAMMP1MMP2MMP3MMP8
SCHEMBL31145674 0.82 OR51E2 (0.42) LMNAMMP1MMP2MMP3MMP8
SCHEMBL18783157 0.78 SMN1; SMN2 (0.36) LMNAMMP1MMP2MMP3MMP8
SCHEMBL27530727 0.78 GPR84 (0.48) LMNACA1CA12CA9GPR84
SCHEMBL9689376 0.78 LMNA (0.42) LMNAMMP1MMP2MMP3MMP8
SCHEMBL3056302 0.77 DPP4 (0.34) LMNAMMP1MMP2MMP3MMP8
SCHEMBL3056305 0.77 GABRR1 (0.37) LMNAMMP1MMP2MMP3MMP8
SCHEMBL18485877 0.77 LMNA (0.33) LMNAMMP1MMP2MMP3MMP8
SCHEMBL4072000 0.76
SCHEMBL1964784 0.76 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8

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
WO-2018162554-A1 BIODEGRADABLE SOLVENT BASF SE (DE) 2018-09-13 WO claimed
WO-2018162554-A1 BIODEGRADABLE SOLVENT BASF SE (DE) 2018-09-13 WO disclosed
CN-101544651-B Method for synthesizing polysubstitution pyridinone compounds UNIV EAST CHINA NORMAL 2011-11-02 CN disclosed
CN-101544651-A Method for synthesizing polysubstitution pyridinone compounds UNIV EAST CHINA NORMAL 2009-09-30 CN disclosed