SCHEMBL9744847

SCHEMBL9744847

O=C(N[C@@H](Cc1ccc(OCc2ccccc2)c(O)c1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.58
▸ MBTPS1 Q14703 1/20 0.51
▸ CTSL P07711 3/20 0.50
▸ CTSB P07858 3/20 0.50
▸ CTSS P25774 3/20 0.50
▸ TACR1 P25103 2/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CTSK P43235 2/20 0.49
▸ ITGB3 P05106 4/20 0.48
▸ ITGA2B P08514 4/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ ALOX15 P16050 1/20 0.48

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
SCHEMBL25471797 0.96 TYR (0.54) TYRCTSLCTSBCTSSTACR1
SCHEMBL3642865 0.93 ALDH1A1 (0.55) TYRCTSLCTSBCTSSTACR1
SCHEMBL3642862 0.93 ALDH1A1 (0.55) TYRCTSLCTSBCTSSTACR1
SCHEMBL9744259 0.91 TYR (0.58) TYRMBTPS1CTSLCTSBCTSS
SCHEMBL29559972 0.88 TYR (0.62) TYRCTSLCTSBCTSSTACR1
SCHEMBL5802843 0.88 TYR (0.62) TYRCTSLCTSBCTSSTACR1
SCHEMBL7437357 0.88 TYR (0.62) TYRCTSLCTSBCTSSTACR1
SCHEMBL29774427 0.87 TYR (0.54) TYRCTSLCTSBCTSSTACR1
SCHEMBL25471796 0.87 TYR (0.54) TYRCTSLCTSBCTSSTACR1
SCHEMBL25471896 0.86 TYR (0.52) TYRCTSLCTSBCTSSTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309827-B1 L-DOPA DERIVATIVES OR THEIR ACID ADDITION SALTS, PROCESS FOR PRODUCING SAME AND THEIR USE BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-01-02 — — EP disclosed
US-4966915-A L-dopa derivatives or their acid addition salts, process for producing same and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-10-30 — — US disclosed
EP-0309827-A1 L-Dopa derivatives or their acid addition salts, process for producing same and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 — — EP disclosed
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