SCHEMBL9567418

SCHEMBL9567418

[CH2]CCCC(=O)OCC#CC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.36
DGKA P23743 1/20 0.34
CYP1A2 P05177 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
PAM P19021 2/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL10009668 0.88 TSHR (0.42) GSTP1DGKACYP1A2MMP1MMP2
SCHEMBL9912486 0.88 DGKA (0.43) GSTP1DGKACYP1A2MMP1MMP2
SCHEMBL10011974 0.86 DGKA (0.47) GSTP1DGKACYP1A2MMP1MMP2
SCHEMBL2325380 0.83 MMP1 (0.40) GSTP1DGKACYP1A2MMP1MMP2
SCHEMBL2341660 0.82 DGKA (0.48) DGKACYP1A2TSHRL3MBTL1PRSS1
SCHEMBL10009671 0.81 TSHR (0.50) GSTP1TSHRL3MBTL1PAM
SCHEMBL10011358 0.81 TSHR (0.45) GSTP1TSHRPAM
SCHEMBL7816971 0.79
SCHEMBL28372049 0.79 DGKA (0.60) DGKATSHRL3MBTL1PRSS1PRSS2
SCHEMBL28370990 0.79 DGKA (0.60) DGKATSHRL3MBTL1PRSS1PRSS2

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
EP-0549344-A1 Triazine derivatives as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP disclosed