SCHEMBL8847765

SCHEMBL8847765

O=C(C=Cc1ccc(O)c(CO)c1)Nc1ccccc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.66
TRPM2 O94759 4/20 0.62
LTB4R Q15722 1/20 0.62
TRPM8 Q7Z2W7 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
TP53 P04637 2/20 0.60
CYP3A4 P08684 2/20 0.60
HPGD P15428 2/20 0.60
HIF1A Q16665 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60
KDM4E B2RXH2 1/20 0.60
ABCC4 O15439 1/20 0.60

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
SCHEMBL110009 0.87 MEN1 (0.61) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL30335821 0.86 MMP1 (0.75) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL2851492 0.86 MMP1 (0.75) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL30538697 0.86 MMP1 (0.75) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL13854017 0.86 TRPA1 (0.69) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL2851499 0.86 MMP1 (0.75) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL16272300 0.85 MEN1 (0.61) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL2780473 0.83 TRPA1 (0.65) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL13556323 0.83 TRPA1 (0.69) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL2780472 0.83 TRPA1 (0.65) TRPA1TRPM2LTB4RTRPM8MEN1

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
US-5610169-A Pharmaceutical Composition containing slightly water-soluble drug THE GREEN CROSS CORPORATION (JP) 1997-03-11 US disclosed
US-5462951-A Dissolved in a polyoxyethylene sorbitan fatty acid ester and adsorbed onto a porosity inorganic substance THE GREEN CROSS CORPORATION (JP) 1995-10-31 US disclosed
EP-0448091-A2 Pharmaceutical composition containing slightly water-soluble drug THE GREEN CROSS CORPORATION (JP) 1991-09-25 EP disclosed