SCHEMBL9383828

SCHEMBL9383828

COC(=O)COc1cc(C(=O)OC)nc2cc(Cl)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 1/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ KMT2A Q03164 3/20 0.46
▸ PRNP P04156 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ MRGPRX4 Q96LA9 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PLA2G1B P04054 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ CHEK1 O14757 1/20 0.40

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
SCHEMBL9382878 0.85 LMNA (0.54) PTGDRPTGDR2KMT2APOLBLMNA
SCHEMBL9381350 0.84 ALOX15 (0.55) KMT2APOLBKDM4ESMN1; SMN2MEN1
SCHEMBL9383893 0.82 PDGFRB (0.42) PTGDR2KMT2ALMNAMRGPRX4KDM4E
SCHEMBL5638035 0.79 EGFR (0.47) KMT2ARXFP1MRGPRX4EGFRCHEK1
SCHEMBL16832684 0.78 CHEK1 (0.54) RXFP1KDM4ESMN1; SMN2EGFRCHEK1
SCHEMBL2904899 0.78 EGFR (0.46) KMT2ARXFP1MRGPRX4EGFRCHEK1
SCHEMBL9386614 0.77 LMNA (0.47) PTGDRPTGDR2KMT2APOLBLMNA
SCHEMBL9381607 0.77 TDP1 (0.52) PTGDRPTGDR2KDM4ETSHRMAPT
SCHEMBL3330164 0.77 KDM4E (0.56) PTGDR2KDM4EEGFR
SCHEMBL19579748 0.74 ALOX15 (0.49) KMT2APOLBLMNAMRGPRX4SMN1; SMN2

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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