SCHEMBL11850734

SCHEMBL11850734

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.53
▸ ALOX15 P16050 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ RECQL P46063 3/20 0.52
▸ HIF1A Q16665 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ EGFR P00533 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ ADORA3 P0DMS8 2/20 0.52
▸ HTR2A P28223 2/20 0.52
▸ PTGS2 P35354 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ FYN P06241 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ SLC7A5 Q01650 1/20 0.52
▸ YARS1 P54577 2/20 0.48
▸ ERAP2 Q6P179 2/20 0.43
▸ LNPEP Q9UIQ6 2/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ CA1 P00915 2/20 0.42

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
SCHEMBL11860286 0.94 EGFR (0.55) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL11852840 0.94 EGFR (0.55) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL11856676 0.91 LCK (0.49) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL11853539 0.91 PPID (0.50) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL11849660 0.90 LCK (0.65) LCKALOX15KDM4ERECQLHIF1A
Hydrochloric Acid SCHEMBL11684930 0.89 LCK (0.64) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL11853292 0.86 LCK (0.49) LCKALOX15KDM4ERECQLHIF1A
SCHEMBL27824407 0.86 LNPEP (0.53) SLC7A5YARS1ERAP2LNPEPERAP1
SCHEMBL4662496 0.86 LNPEP (0.53) SLC7A5YARS1ERAP2LNPEPERAP1
SCHEMBL27338458 0.85 LCK (0.53) LCKALOX15KDM4ERECQLHIF1A

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-3939253-A Novel, transient pro-drug forms of l-dopa useful in the treatment of parkinson's disease INTERX RESEARCH CORPORATION (US) 1976-02-17 — — US disclosed
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