SCHEMBL7325903

SCHEMBL7325903

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.55
ACE P12821 1/20 0.52
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
CTSL P07711 3/20 0.48
CTSB P07858 3/20 0.48
CTSS P25774 3/20 0.48
TACR1 P25103 3/20 0.47
CTSK P43235 2/20 0.47
MBTPS1 Q14703 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL7323846 0.94 TYR (0.49) TYRACEALDH1A1ALOX15CTSL
SCHEMBL5802843 0.92 TYR (0.62) TYRALDH1A1ALOX15CTSLCTSB
SCHEMBL29559972 0.92 TYR (0.62) TYRALDH1A1ALOX15CTSLCTSB
SCHEMBL7437357 0.92 TYR (0.62) TYRALDH1A1ALOX15CTSLCTSB
SCHEMBL27406872 0.85 TYR (0.55) TYRALDH1A1ALOX15CTSLCTSB
SCHEMBL7296176 0.85 TYR (0.55) TYRALDH1A1ALOX15CTSLCTSB
SCHEMBL2947377 0.85 LCK (0.61) TYRALDH1A1ALOX15CTSLCTSB
SCHEMBL9744805 0.85 TYR (0.58) TYRALDH1A1ALOX15CTSLCTSB
SCHEMBL9744810 0.85 TYR (0.58) TYRALDH1A1ALOX15CTSLCTSB
SCHEMBL30319896 0.85 TYR (0.58) TYRALDH1A1ALOX15CTSLCTSB

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
EP-0352815-B1 PRODRUGS OF DOPAMINE ZAMBON GROUP S.p.A. (IT) 1993-05-19 EP disclosed
US-5013753-A Prodrugs of dopamine SIMES (IT) 1991-05-07 US disclosed