SCHEMBL9847979

SCHEMBL9847979

N[C@@H](Cc1ccc(O)c(F)c1CF)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
USP2 O75604 3/20 0.53
HIF1A Q16665 3/20 0.53
ALOX15 P16050 3/20 0.53
HSD17B10 Q99714 3/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 3/20 0.53
BLM P54132 3/20 0.53
PMP22 Q01453 3/20 0.53
KMT2A Q03164 3/20 0.53
RECQL P46063 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 2/20 0.53
PKM P14618 2/20 0.53
CYP3A4 P08684 2/20 0.53
NFKB1 P19838 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
THRB P10828 2/20 0.53
RGS12 O14924 1/20 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
SCHEMBL9847960 0.85 KDM4E (0.49) KDM4EUSP2HIF1AALOX15HSD17B10
SCHEMBL3513801 0.84 KDM4E (0.59) KDM4EUSP2HIF1AALOX15HSD17B10
SCHEMBL3513799 0.84 KDM4E (0.59) KDM4EUSP2HIF1AALOX15HSD17B10
SCHEMBL6046185 0.80 KDM4E (0.57) KDM4EUSP2HIF1AALOX15HSD17B10
SCHEMBL9848000 0.79 KDM4E (0.53) KDM4EUSP2HIF1AALOX15HSD17B10
SCHEMBL29141538 0.78 KDM4E (0.51) KDM4EUSP2HIF1AALOX15HSD17B10
SCHEMBL25471322 0.77 KDM4E (0.54) KDM4EUSP2HIF1AALOX15HSD17B10
SCHEMBL27125031 0.76 KDM4E (0.57) KDM4EUSP2HIF1AALOX15HSD17B10
SCHEMBL9952323 0.76 KDM4E (0.57) KDM4EUSP2HIF1AALOX15HSD17B10
SCHEMBL5324196 0.75 KDM4E (0.51) KDM4EUSP2HIF1AALOX15HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451422-A1 Pharmaceutically active fluoromethyltyrosine compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-16 EP claimed
EP-0451422-A1 Pharmaceutically active fluoromethyltyrosine compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-16 EP disclosed