SCHEMBL7808923

SCHEMBL7808923

C=CCOC(=O)NCCc1ccc(C(Cl)C(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.43
FAAH O00519 3/20 0.42
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
ERN1 O75460 2/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ST14 Q9Y5Y6 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
SCHEMBL6996476 0.80 KMT2A (0.47) CASP1FAAHKMT2AGLAERN1
SCHEMBL4589632 0.78 KMT2A (0.54) CASP1FAAHKMT2AGLAERN1
SCHEMBL6992696 0.75 CNR1 (0.45) CASP1FAAHKMT2AGLAERN1
SCHEMBL12201807 0.74 ESRRG (0.53) CASP1FAAHKMT2AGLA
SCHEMBL14896376 0.73 MAPT (0.51) KMT2AMEN1MAPTALDH1A1
SCHEMBL4590122 0.73 KMT2A (0.59) FAAHKMT2AGLAMAPT
SCHEMBL9507749 0.72 CASP1 (0.51) CASP1FAAHKMT2AGLA
SCHEMBL7823450 0.72 MAPT (0.38) CASP1FAAHKMT2AERN1MEN1
SCHEMBL4590421 0.71 ALDH1A1 (0.55) KMT2AGLAMEN1ALDH1A1
SCHEMBL6999007 0.71 CASP1 (0.46) CASP1FAAHKMT2AERN1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027352-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-09-19 EP disclosed
EP-1027352-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-16 EP disclosed
WO-1999020627-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed