SCHEMBL14148802

SCHEMBL14148802

CCOC(=O)/C=C/c1cc(CO)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ EGFR P00533 1/20 0.44
▸ CNKSR1 Q969H4 1/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ MET P08581 4/20 0.40
▸ FDPS P14324 1/20 0.40
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 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
SCHEMBL18071792 0.88 TTR (0.45) TTRDPP4CA12CA1CA2
SCHEMBL5861799 0.83 ESR1 (0.56) TTRDPP4CA12CA1CA2
SCHEMBL18069261 0.83 TTR (0.48) TTRDPP4CA12CA1CA2
SCHEMBL14148735 0.82 EGFR (0.43) EGFRCYP3A4ESR1MET
SCHEMBL16303520 0.82 CNKSR1 (0.48) TTRDPP4CA12CA1CA2
SCHEMBL4718050 0.82 MAPT (0.48) TTRDPP4CA12CA1CA2
SCHEMBL4718052 0.82 MAPT (0.48) TTRDPP4CA12CA1CA2
SCHEMBL29607942 0.82 MAPT (0.48) TTRDPP4CA12CA1CA2
SCHEMBL24844752 0.81 TTR (0.46) TTRDPP4CA12CA1CA2
SCHEMBL13311783 0.81 CYP3A4 (0.47) TTRDPP4CA12CA1CA2

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
WO-2008053479-A9 SELF-IMMOLATIVE POLYMERS UNIV RAMOT (IL) 2008-07-17 — — WO disclosed
WO-2008053479-A1 SELF-IMMOLATIVE POLYMERS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2008-05-08 — — WO disclosed
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