SCHEMBL9848007

SCHEMBL9848007

N[C@@H](Cc1ccc(O)cc1CF)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALOX15 P16050 3/20 0.54
HSD17B10 Q99714 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
CYP3A4 P08684 2/20 0.54
MAPT P10636 2/20 0.54
NFKB1 P19838 2/20 0.54
BLM P54132 2/20 0.54
PMP22 Q01453 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
HTR2A P28223 2/20 0.54
HTR1A P08908 1/20 0.54
TSHR P16473 1/20 0.54
HTR2C P28335 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR7 P34969 1/20 0.54
HTR2B P41595 1/20 0.54

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
SCHEMBL5565921 1.00 KDM4E (0.54) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL5564602 0.94 KDM4E (0.54) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL5566273 0.88 KDM4E (0.51) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL5324787 0.85 KDM4E (0.55) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL677540 0.85 KDM4E (0.55) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL1260983 0.85 KDM4E (0.55) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL5565685 0.84 KDM4E (0.51) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL30772395 0.84 KDM4E (0.54) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL19501942 0.82 ALOX15 (0.57) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL15130503 0.82 ALOX15 (0.57) KDM4EALOX15HSD17B10ALDH1A1LMNA

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 6 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
CN-103917518-A Simplified radiosynthesis of o-[18f]fluoromethyl tyrosine derivatives PIRAMAL IMAGING SA 2014-07-09 CN disclosed
CN-103857660-A For PET imaging18Direct synthesis of F-fluoromethoxy compounds and use thereof in direct radiosynthesis of O- ([ 2 ]18F]Novel precursors of protected derivatives of fluoromethyl) tyrosine PIRAMAL IMAGING SA 2014-06-11 CN disclosed
EP-0451422-A1 Pharmaceutically active fluoromethyltyrosine compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-16 EP disclosed
EP-0040150-B1 FLUOROMETHYLATED TYROSINE METHYL ESTER MERRELL TORAUDE ET COMPAGNIE (FR) 1983-09-21 EP disclosed
EP-0040150-A1 Fluoromethylated tyrosine methyl ester MERRELL TORAUDE ET COMPAGNIE (FR) 1981-11-18 EP disclosed