SCHEMBL11446869

SCHEMBL11446869

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.57
▸ ACE P12821 3/20 0.57
▸ MME P08473 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ EGFR P00533 1/20 0.56
▸ LCK P06239 1/20 0.56
▸ FYN P06241 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ SLC7A5 Q01650 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53

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
SCHEMBL11446870 1.00 FOLH1 (0.57) FOLH1ACEMMEKDM4EUSP2
SCHEMBL11454560 1.00 FOLH1 (0.57) FOLH1ACEMMEKDM4EUSP2
SCHEMBL11792982 0.88 SLC7A5 (0.68) FOLH1ACEMMEKDM4EUSP2
SCHEMBL11854644 0.88 LCK (0.60) KDM4EUSP2EGFRLCKFYN
SCHEMBL13925361 0.87 LCK (0.58) FOLH1ACEMMEKDM4EUSP2
Hydrochloric Acid SCHEMBL11454672 0.87 SLC7A5 (0.66) FOLH1ACEMMEKDM4EUSP2
Hydrochloric Acid SCHEMBL4117118 0.86 LCK (0.57) FOLH1ACEMMEKDM4EUSP2
SCHEMBL11856676 0.86 LCK (0.49) FOLH1ACEMMEKDM4EUSP2
SCHEMBL11056714 0.86 FOLH1 (0.69) FOLH1ACEMMESLC7A5CPA1
SCHEMBL2474675 0.86 FOLH1 (0.69) FOLH1ACEMMESLC7A5CPA1

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-4241082-A 3,4-DIHYDROXYPHENYLALANINE OR DERIVATIVE THEREOF AS A DECARBOXYLASE INHIBITOR USED IN CONJUNCTION WITH AN AMINO ACID SANKYO COMPANY LIMITED (JP) 1980-12-23 — — US claimed
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