SCHEMBL9848019

SCHEMBL9848019

N[C@@H](Cc1ccc(O)cc1C(F)F)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
CYP3A4 P08684 3/20 0.52
ALOX15 P16050 3/20 0.52
KMT2A Q03164 3/20 0.52
HSD17B10 Q99714 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
NFKB1 P19838 2/20 0.52
BLM P54132 2/20 0.52
PMP22 Q01453 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
HTR2A P28223 2/20 0.52
HTR1A P08908 1/20 0.52
TSHR P16473 1/20 0.52
HTR2C P28335 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52

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
SCHEMBL9851441 1.00 KDM4E (0.52) KDM4ECYP3A4ALOX15KMT2AHSD17B10
SCHEMBL5566266 0.88 KDM4E (0.50) KDM4ECYP3A4ALOX15KMT2AHSD17B10
SCHEMBL10932979 0.84 KDM4E (0.52) KDM4ECYP3A4ALOX15KMT2AHSD17B10
SCHEMBL10934414 0.84 KDM4E (0.52) KDM4ECYP3A4ALOX15KMT2AHSD17B10
SCHEMBL1577675 0.81 USP2 (0.57) KDM4ECYP3A4ALOX15KMT2AHSD17B10
SCHEMBL751609 0.81 USP2 (0.57) KDM4ECYP3A4ALOX15KMT2AHSD17B10
SCHEMBL12375142 0.81 USP2 (0.57) KDM4ECYP3A4ALOX15KMT2AHSD17B10
SCHEMBL24804601 0.81 HSD17B10 (0.43) KDM4ECYP3A4ALOX15KMT2AHSD17B10
SCHEMBL2679928 0.80 KDM4E (0.66) KDM4ECYP3A4ALOX15KMT2AHSD17B10
SCHEMBL569807 0.80 SLC7A5 (0.58) KDM4ECYP3A4ALOX15KMT2AHSD17B10

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