SCHEMBL11077965

SCHEMBL11077965

N[C@@H](Cc1ccc(O)c(Cc2ccc(O)cc2)c1)C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.84
USP2 O75604 3/20 0.65
KDM4E B2RXH2 3/20 0.65
ALOX15 P16050 3/20 0.65
HSD17B10 Q99714 3/20 0.65
RECQL P46063 2/20 0.65
HIF1A Q16665 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
PTGS1 P23219 2/20 0.65
ADORA3 P0DMS8 2/20 0.65
HTR2A P28223 2/20 0.65
EGFR P00533 1/20 0.65
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
PTGS2 P35354 1/20 0.65
GRIA2 P42262 1/20 0.50
YARS1 P54577 2/20 0.48
PCNA P12004 1/20 0.48
PKM P14618 3/20 0.47
THRB P10828 2/20 0.47

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
SCHEMBL5324730 0.91 SLC7A5 (1.00) SLC7A5USP2KDM4EALOX15HSD17B10
SCHEMBL2299795 0.91 SLC7A5 (1.00) SLC7A5USP2KDM4EALOX15HSD17B10
SCHEMBL9273339 0.85 SLC7A5 (0.73) SLC7A5USP2KDM4EALOX15HSD17B10
Levodopa SCHEMBL4120877 0.83 SLC7A5 (0.87) SLC7A5USP2KDM4EALOX15HSD17B10
SCHEMBL20912658 0.83 SLC7A5 (0.71) SLC7A5USP2KDM4EALOX15HSD17B10
Levodopa SCHEMBL23853065 0.83 SLC7A5 (0.87) SLC7A5USP2KDM4EALOX15HSD17B10
SCHEMBL5321753 0.83 SLC7A5 (0.71) SLC7A5USP2KDM4EALOX15HSD17B10
SCHEMBL20912657 0.83 SLC7A5 (0.71) SLC7A5USP2KDM4EALOX15HSD17B10
Levodopa SCHEMBL23069646 0.83 SLC7A5 (0.87) SLC7A5USP2KDM4EALOX15HSD17B10
Levodopa SCHEMBL1663799 0.83 SLC7A5 (0.87) SLC7A5USP2KDM4EALOX15HSD17B10

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-4436910-A SAPONIFICATION DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-03-13 US disclosed