SCHEMBL9383560

SCHEMBL9383560

O=C(O)COc1cc(C(=O)O)nc2ccc(C(F)(F)F)cc12

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 13/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ MRGPRX4 Q96LA9 2/20 0.44
▸ AKR1B1 P15121 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
SCHEMBL19579755 0.87 MRGPRX4 (0.49) KDM4EMRGPRX4
SCHEMBL9378776 0.80 TDP1 (0.54) PTGDR2KDM4E
SCHEMBL9378807 0.78 ALOX15 (0.66) PTGDR2KDM4E
SCHEMBL9379551 0.78 KCNH2 (0.55) PTGDR2KDM4E
SCHEMBL28496945 0.76 KDM4E (0.49) KDM4E
SCHEMBL30120650 0.76 KDM4E (0.49) KDM4E
SCHEMBL9379799 0.76 PKM (0.50) PTGDR2KDM4EAKR1B1
SCHEMBL9379478 0.76 KDM4E (0.46) KDM4E
SCHEMBL19579739 0.76 HTT (0.50) KDM4EMRGPRX4
SCHEMBL28666661 0.74 PTGDR2 (0.53) PTGDR2AKR1B1

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
EP-0398283-B1 Excitatory amino acid antagonists MERRELL DOW PHARMA (US) 1994-11-02 — — EP disclosed
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