SCHEMBL5216178

SCHEMBL5216178

CCc1nc(Cl)c(/C=C/C(=O)O)n1Cc1ccc(I)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.36
PTGFR P43088 2/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
PTGIR P43119 2/20 0.36
PTGDR Q13258 2/20 0.36
ATM Q13315 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
AGTR1 P30556 2/20 0.33
AGTR2 P50052 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32

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
SCHEMBL5216186 1.00 TBXA2R (0.36) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5673977 0.87 TBXA2R (0.36) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5673970 0.87 TBXA2R (0.36) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5215694 0.87 TBXA2R (0.35) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5215687 0.87 TBXA2R (0.35) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5672525 0.85 SLC22A12 (0.40) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5672522 0.85 SLC22A12 (0.40) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5672527 0.85 SLC22A12 (0.40) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5215839 0.84 VDR (0.38) AGTR1AGTR2
SCHEMBL27508357 0.84 AGTR1 (0.33) AGTR1AGTR2

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
EP-1142879-B1 IMIDAZOLE COMPOUNDS AND MEDICINAL USE THEREOF ASTELLAS PHARMA INC (JP) 2007-10-10 EP disclosed
US-7060721-B1 Imidazole compounds and medicinal use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-06-13 US disclosed
EP-1142879-A1 IMIDAZOLE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed