SCHEMBL28170993

SCHEMBL28170993

Nc1c(C(=O)O)cccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
KMO O15229 2/20 0.47
EIF4E P06730 8/20 0.46
G6PD P11413 1/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
RORB Q92753 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.43
AHR P35869 1/20 0.42

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
SCHEMBL3542609 0.83 PTGER1 (0.56) PTGER1PTGER3PTGER2EIF4ERORB
SCHEMBL17744770 0.83 G6PD (0.55) KMOG6PDCASP7CASP6ALDH1A1
SCHEMBL17744826 0.83 G6PD (0.59) G6PDCASP7CASP6ALDH1A1
SCHEMBL29184001 0.82 G6PD (0.50) G6PDCASP7CASP6ALDH1A1TSHR
SCHEMBL17744897 0.79 MCL1 (0.57) G6PDCASP7CASP6ALDH1A1
SCHEMBL17744805 0.78 CASP7 (0.53) G6PDCASP7CASP6ALDH1A1
SCHEMBL758071 0.78 HNF4A (0.63) G6PDCASP7CASP6ALDH1A1
SCHEMBL2497910 0.78 AHR (0.52) PTGER1PTGER3PTGER2KMORORB
SCHEMBL11107709 0.78 DDT (0.54) PTGER1KMOG6PDCASP7CASP6
SCHEMBL9851131 0.77 G6PD (0.65) G6PDCASP7CASP6ALDH1A1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105764883-B Thermoplastic polymer composition 美利肯公司 2019-06-04 CN disclosed
CN-105764971-B Thermoplastic polymer composition 美利肯公司 2018-04-06 CN disclosed
CN-105745264-B Thermoplastic polymer composition 美利肯公司 2018-03-13 CN disclosed
CN-105745189-B Thermoplastic polymer composition 美利肯公司 2017-11-21 CN disclosed