SCHEMBL9382878

SCHEMBL9382878

COC(=O)COc1cc(C(=O)OC)nc2cc(Cl)c(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ NQO2 P16083 4/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PTGDR Q13258 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 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
SCHEMBL9383828 0.85 PTGDR (0.48) LMNAKDM4EKMT2AMEN1CYP1A2
SCHEMBL9381350 0.81 ALOX15 (0.55) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL9386614 0.79 LMNA (0.47) LMNAKDM4EALDH1A1KMT2ANQO2
SCHEMBL9383893 0.77 PDGFRB (0.42) LMNAKDM4EKMT2AMEN1CYP1A2
SCHEMBL2904873 0.76 NQO2 (0.48) KDM4ENQO2
SCHEMBL9379478 0.76 KDM4E (0.46) KDM4EALDH1A1HPGDTSHRHTT
SCHEMBL5088534 0.72 PLA2G2A (0.42) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL3330164 0.71 KDM4E (0.56) KDM4EPTGDR2
2,4,5-Trichlorophenoxyacetic Acid, Methyl Ester SCHEMBL29561046 0.71 LMNA (1.00) LMNAKDM4EALDH1A1HPGDMAPK1
SCHEMBL2909922 0.69 NQO2 (0.44) KDM4EMAPK1KMT2ANQO2MEN1

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
EP-0398283-B1 Excitatory amino acid antagonists MERRELL DOW PHARMA (US) 1994-11-02 — — EP disclosed
US-5112821-A Excitatory amino acid antagonists which are certain thienopyridives MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-12 — — US disclosed
US-5026700-A Certain quinolines and thienopyridines as excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 — — US disclosed
EP-0398283-A1 Excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1990-11-22 — — EP disclosed
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