SCHEMBL4410110

SCHEMBL4410110

O=C(O)/C=C/c1ccc(CBr)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.61
EGFR P00533 1/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
PTGER3 P43115 4/20 0.40
PTGER2 P43116 4/20 0.40
TBXA2R P21731 3/20 0.40
PTGDR Q13258 3/20 0.40
PTGER4 P35408 3/20 0.40
PTGFR P43088 2/20 0.40
TDO2 P48775 1/20 0.40
EIF2AK2 P19525 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PTGER1 P34995 2/20 0.40
PTGIR P43119 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL4410113 1.00 MIF (0.61) MIFEGFRCYP4F2CYP4A11PTGER3
SCHEMBL4417309 0.85 EGFR (0.64) MIFEGFRCYP4F2CYP4A11PTGER3
SCHEMBL4417306 0.85 EGFR (0.64) MIFEGFRCYP4F2CYP4A11PTGER3
SCHEMBL6364266 0.82 MIF (0.55) MIFEGFRCYP4F2CYP4A11PTGER3
SCHEMBL6166681 0.81 ESR1 (0.50) MIFEGFRPTGER3PTGER2TBXA2R
SCHEMBL6166674 0.81 ESR1 (0.50) MIFEGFRPTGER3PTGER2TBXA2R
SCHEMBL13311782 0.80 CYP3A4 (0.46) MIFCYP4F2CYP4A11CA1CA2
SCHEMBL3500591 0.80 CYP3A4 (0.46) MIFCYP4F2CYP4A11CA1CA2
SCHEMBL1469976 0.78 MIF (0.67) MIFTDO2EIF2AK2CSNK2A2CSNK2B
SCHEMBL1469977 0.78 MIF (0.67) MIFTDO2EIF2AK2CSNK2A2CSNK2B

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-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed