SCHEMBL11853292

SCHEMBL11853292

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.49
▸ EGFR P00533 2/20 0.44
▸ ALOX15 P16050 6/20 0.43
▸ ALOX12 P18054 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ RECQL P46063 3/20 0.43
▸ HIF1A Q16665 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ESR1 P03372 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ USP2 O75604 2/20 0.43
▸ ADORA3 P0DMS8 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ PTGS2 P35354 2/20 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
SCHEMBL11854079 0.92 LCK (0.59) LCKEGFRALOX15ALOX12KDM4E
SCHEMBL11858061 0.88 ACE (0.48) LCKEGFRPOLBACEMME
SCHEMBL11859253 0.87 ACE (0.55) LCKEGFRALOX15ALOX12KDM4E
SCHEMBL11859267 0.87 ACE (0.55) LCKEGFRALOX15ALOX12KDM4E
SCHEMBL11850734 0.86 LCK (0.53) LCKEGFRALOX15ALOX12KDM4E
SCHEMBL27338458 0.86 LCK (0.53) LCKEGFRALOX15ALOX12KDM4E
SCHEMBL11856676 0.84 LCK (0.49) LCKEGFRALOX15ALOX12KDM4E
SCHEMBL1070365 0.83 ALOX15 (0.44) ALOX15ALDH1A1DRD2ADRA1ADRD3
SCHEMBL11852840 0.81 EGFR (0.55) LCKEGFRALOX15KDM4ERECQL
SCHEMBL11860286 0.81 EGFR (0.55) LCKEGFRALOX15KDM4ERECQL

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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