SCHEMBL9515747

SCHEMBL9515747

CCc1c(/C=C/C(=O)O)ccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 3/20 0.43
PTGER2 P43116 3/20 0.43
PTGER1 P34995 2/20 0.43
TBXA2R P21731 2/20 0.43
PTGFR P43088 2/20 0.43
PTGIR P43119 2/20 0.43
PTGDR Q13258 2/20 0.43
PTGER4 P35408 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NFKB1 P19838 1/20 0.39
CA4 P22748 1/20 0.39
MIF P14174 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.38
ATM Q13315 1/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL9515758 1.00 PTGER3 (0.43) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL2388955 0.87 ESR1 (0.47) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL6855197 0.84 CA1 (0.47) PTGER3PTGER2PTGER1TBXA2RPTGDR
SCHEMBL2865033 0.84 CA1 (0.47) PTGER3PTGER2PTGER1TBXA2RPTGDR
SCHEMBL3183824 0.81 PTGER3 (0.48) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL2391055 0.80 AKR1C3 (0.44) PTGER3PTGER2PTGER1PTGER4SMN1; SMN2
SCHEMBL2393450 0.79 ESR1 (0.46) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL3954647 0.79 PTGER3 (0.49) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL6678566 0.79 ESR1 (0.48) PTGER3PTGER2PTGER1PTGER4CA1
SCHEMBL6668620 0.79 ESR1 (0.48) PTGER3PTGER2PTGER1PTGER4CA1

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-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed