SCHEMBL7323846

SCHEMBL7323846

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.49
EGFR P00533 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
CTSL P07711 6/20 0.47
CTSB P07858 5/20 0.47
CTSS P25774 3/20 0.47
ACE P12821 1/20 0.46
CTSK P43235 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44

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
SCHEMBL7325903 0.94 TYR (0.55) TYRALDH1A1ALOX15CTSLCTSB
SCHEMBL27406872 0.93 TYR (0.55) TYREGFRALDH1A1ALOX15CTSL
SCHEMBL7296176 0.93 TYR (0.55) TYREGFRALDH1A1ALOX15CTSL
SCHEMBL7437357 0.86 TYR (0.62) TYRALDH1A1ALOX15CTSLCTSB
SCHEMBL5802843 0.86 TYR (0.62) TYRALDH1A1ALOX15CTSLCTSB
SCHEMBL29559972 0.86 TYR (0.62) TYRALDH1A1ALOX15CTSLCTSB
SCHEMBL12937731 0.84 SIRT2 (0.48) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL3657799 0.84 SIRT2 (0.48) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL12937725 0.84 SIRT2 (0.48) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL2947377 0.84 LCK (0.61) 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