SCHEMBL2392799

SCHEMBL2392799

CCc1c(C=CC(=O)O)cc(Cl)c(O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.38
PTGER2 P43116 4/20 0.38
PTGER1 P34995 3/20 0.38
TBXA2R P21731 2/20 0.38
PTGFR P43088 2/20 0.38
PTGIR P43119 2/20 0.38
PTGDR Q13258 2/20 0.38
PTGER4 P35408 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NFKB1 P19838 1/20 0.37
CA4 P22748 1/20 0.37
ESR1 P03372 1/20 0.36
PTGS2 P35354 2/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
MIF P14174 1/20 0.36
AKR1B10 O60218 1/20 0.36
MMP2 P08253 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL2391719 0.81 KDM4E (0.43) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL1843947 0.79 ERN1 (0.47) TBXA2RESR1PTGS2PTGS1MIF
SCHEMBL9515747 0.78 PTGER3 (0.43) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL2388955 0.78 ESR1 (0.47) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL9515758 0.78 PTGER3 (0.43) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL2393450 0.74 ESR1 (0.46) PTGER3PTGER2PTGER1TBXA2RPTGFR
SCHEMBL2389161 0.74 ESR1 (0.43) PTGER3PTGER2PTGER1PTGER4CA1
SCHEMBL6678566 0.73 ESR1 (0.48) PTGER3PTGER2PTGER1PTGER4CA1
SCHEMBL6668620 0.73 ESR1 (0.48) PTGER3PTGER2PTGER1PTGER4CA1
SCHEMBL4617979 0.72 AKR1C2 (0.47) TBXA2RESR1PTGS2PKMPTGS1

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
US-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed