SCHEMBL9113646

SCHEMBL9113646

CCCN/C(CC)=C(\C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
EPHX1 P07099 2/20 0.36
PAOX Q6QHF9 1/20 0.35
MCL1 Q07820 1/20 0.35
KDM4C Q9H3R0 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
CTSD P07339 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1133538 0.88 EPHX1 (0.44) MMP1MMP2EPHX1KMT2AMEN1
SCHEMBL3278944 0.86 CTSD (0.40) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL4860851 0.83 TDP1 (0.33) MMP1MMP2MMP3MMP9MCL1
SCHEMBL2012446 0.81 MMP1 (0.39) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL1274639 0.76 TDP1 (0.35) LMNAALDH1A1TDP1
SCHEMBL18579930 0.75 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1NPSR1MAPT
SCHEMBL29138970 0.75 EGLN1 (0.39) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL24407909 0.74 CRBN (0.44) LMNAALDH1A1TDP1
SCHEMBL5672699 0.74 CRBN (0.44) LMNAALDH1A1NPSR1MAPTTDP1
SCHEMBL4976642 0.73 EPHX1 (0.40) MMP1MMP2MMP3MMP9EPHX1

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-0665875-A1 USE OF VINYLPYRROLIDONE AND VINYLIMIDAZOLE COPOLYMERS AS WASHING AGENT ADDITIVES AND PROCESS FOR PRODUCING THE SAME. BASF AG (DE) 1995-08-09 EP disclosed
WO-1994010281-A1 USE OF VINYLPYRROLIDONE AND VINYLIMIDAZOLE COPOLYMERS AS WASHING AGENT ADDITIVES AND PROCESS FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed