SCHEMBL28200281

SCHEMBL28200281

O=C(O)/C=C/c1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 3/20 0.51
PTGER2 P43116 3/20 0.51
PTGER1 P34995 2/20 0.51
TBXA2R P21731 2/20 0.47
PTGFR P43088 2/20 0.47
PTGIR P43119 2/20 0.47
PTGDR Q13258 2/20 0.47
PTGER4 P35408 1/20 0.47
EIF2AK2 P19525 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
ITGB2 P05107 2/20 0.44
ICAM1 P05362 2/20 0.44
ITGAL P20701 2/20 0.44
MAPT P10636 2/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL15053650 0.88 PTGER3 (0.45) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL15053649 0.88 PTGER3 (0.45) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL2477598 0.86 CA1 (0.48) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL8942312 0.86 MIF (0.51) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL8849971 0.86 MIF (0.51) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL2477599 0.86 CA1 (0.48) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL8849999 0.83 MIF (0.53) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL8942468 0.83 MIF (0.53) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL2466767 0.82 PTGER3 (0.47) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL11355384 0.81 ALDH1A1 (0.42) PTGER3PTGER2PTGER1MAPTBACE1

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
CN-107709291-A Inhibitors and uses thereof 医疗研究局 2018-02-16 CN disclosed