SCHEMBL11854802

SCHEMBL11854802

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.55
▸ EGFR P00533 2/20 0.48
▸ MME P08473 1/20 0.45
▸ ACE P12821 1/20 0.45
▸ ALOX15 P16050 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ RECQL P46063 3/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ FYN P06241 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SLC7A5 Q01650 1/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ ALDH1A1 P00352 4/20 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
SCHEMBL11864242 0.89 LCK (0.68) LCKEGFRMMEACEALOX15
SCHEMBL7302581 0.87 ALDH1A1 (0.43) LCKEGFRALOX15ALDH1A1ALOX12
SCHEMBL7298903 0.87 LCK (0.42) LCKEGFRALDH1A1TP53MAPT
SCHEMBL10955169 0.86 LNPEP (0.51) ALDH1A1TP53KMT2APOLBACACB
SCHEMBL15275678 0.85 LCK (0.52) LCKEGFRMMEACEALOX15
SCHEMBL11850734 0.85 LCK (0.53) LCKEGFRMMEACEALOX15
SCHEMBL7291954 0.84 LCK (0.50) LCKEGFRALOX15KDM4ERECQL
SCHEMBL7302573 0.84 MAPT (0.42) LCKEGFRALOX15ALDH1A1ALOX12
SCHEMBL7298898 0.84 MAPT (0.42) LCKEGFRALDH1A1TP53MAPT
SCHEMBL11858343 0.84 ACE (0.51) LCKEGFRACEALOX15KDM4E

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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