SCHEMBL15537699

SCHEMBL15537699

CCCc1c(O)cc(O)cc1C(=O)OO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.42
PTPN11 Q06124 3/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
PGAM1 P18669 1/20 0.40
PTPN2 P17706 1/20 0.40
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA7 P43166 4/20 0.39
CA9 Q16790 4/20 0.39
CA14 Q9ULX7 4/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
PTGS1 P23219 1/20 0.38
DRD3 P35462 1/20 0.38
KMT2A Q03164 1/20 0.38
SERPINE1 P05121 1/20 0.38

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
SCHEMBL19433113 0.87 CA12 (0.50) PTPN1PTPN11NR1H2NR1H3PTPN2
SCHEMBL39033 0.81 PTPN1 (0.54) PTPN1PTPN11PGAM1PTPN2CA12
Butane SCHEMBL27826970 0.79 LDHA (0.38) PGAM1SERPINE1LMNAMAPTXBP1
SCHEMBL19433123 0.78 CA12 (0.47) PTPN1NR1H2NR1H3CA12CA1
SCHEMBL6832976 0.75 HTT (0.52) PTPN1PTPN11NR1H2NR1H3PGAM1
SCHEMBL19433087 0.72 CA12 (0.53) NR1H2NR1H3CA12CA1CA2
SCHEMBL39571 0.71 KAT8 (0.50) PTPN1PTPN11CYP3A4KDM4EPTGES
SCHEMBL18123956 0.71 ALDH1A1 (0.39) PTPN1PTPN11NR1H2NR1H3CA12
SCHEMBL1038393 0.70 CA12 (0.46) PTPN1PTPN11PTPN2CA12CA1
SCHEMBL29283569 0.70 HMGCR (0.36) CA12CA1CA2CA7CA9

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-2854550-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE Bayer Cropscience AG (DE) 2015-04-08 EP disclosed
WO-2013178656-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE BAYER CROPSCIENCE AG (DE) 2013-12-05 WO disclosed