SCHEMBL10417447

SCHEMBL10417447

COc1cc(OC)c(CNC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.54
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ FOLH1 Q04609 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CAPN1 P07384 1/20 0.46
▸ CAPN2 P17655 1/20 0.46
▸ CD274 Q9NZQ7 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ CTSL P07711 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43

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
SCHEMBL10417444 0.90 PTPN1 (0.56) PTPN1ATMCD274CA1CA2
SCHEMBL30863678 0.83 TLR2 (0.55) PTPN1
SCHEMBL10417441 0.83 CD274 (0.42) PTPN1CD274
SCHEMBL13324010 0.78 SIRT2 (0.61) SIRT2SIRT1FOLH1CAPN1CAPN2
SCHEMBL24238520 0.77 FOLH1 (0.64) SIRT2SIRT1FOLH1
SCHEMBL9698236 0.77 FOLH1 (0.64) SIRT2SIRT1FOLH1
SCHEMBL9697060 0.77 FOLH1 (0.64) SIRT2SIRT1FOLH1
SCHEMBL19307785 0.77 FOLH1 (0.64) SIRT2SIRT1FOLH1
SCHEMBL19925534 0.77 FOLH1 (0.64) SIRT2SIRT1FOLH1
SCHEMBL6950440 0.77 FOLH1 (0.64) SIRT2SIRT1FOLH1CAPN1CAPN2

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
US-4935536-A TRIALKOXYBENZYL PROTECTED AMINO ACID MILLIPORE CORPORATION (US) 1990-06-19 — — US disclosed
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