SCHEMBL8985675

SCHEMBL8985675

C=CC(C(=O)O)n1c(=O)n(C(C=C)C(=O)O)c(=O)n(C(C=C)C(=O)O)c1=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL1725116 0.86 APEX1 (0.32) —
SCHEMBL670226 0.73 DNMT1 (0.33) —
SCHEMBL5503826 0.71 KDM4E (0.43) CYP2C19
SCHEMBL18106840 0.71 — —
SCHEMBL7768447 0.69 CYP3A4 (0.35) CYP2C19
SCHEMBL10374290 0.67 — —
SCHEMBL278681 0.67 CYP3A4 (0.31) —
SCHEMBL4405357 0.67 HSD17B10 (0.38) CYP2C19
SCHEMBL4450859 0.65 LMNA (0.41) CYP2C19
SCHEMBL5523330 0.65 LMNA (0.41) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8081461-A — — None — — JP disclosed
JP-H0881461-A NEW EPOXY COMPOUND AND ITS PRODUCTION NISSAN CHEM IND LTD 1996-03-26 — — JP disclosed
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