SCHEMBL9847966

SCHEMBL9847966

CC(N)(Cc1ccc(O)cc1C(F)F)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.54
HSD17B10 Q99714 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
USP2 O75604 1/20 0.47
EGFR P00533 1/20 0.47
FYN P06241 1/20 0.47
GAA P10253 1/20 0.47
APEX1 P27695 1/20 0.47
ADRA1A P35348 1/20 0.47
PTGS2 P35354 1/20 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
SCHEMBL9847964 1.00 BLM (0.54) BLMHSD17B10MEN1KMT2ACYP1A2
SCHEMBL27207980 0.83 BLM (0.40) BLMHSD17B10MEN1KMT2ACYP1A2
SCHEMBL27208796 0.83 BLM (0.40) BLMHSD17B10MEN1KMT2ACYP1A2
SCHEMBL27208011 0.83 BLM (0.40) BLMHSD17B10MEN1KMT2ACYP1A2
SCHEMBL13086896 0.82 BLM (0.57) BLMHSD17B10MEN1KMT2ACYP1A2
SCHEMBL13086903 0.82 BLM (0.57) BLMHSD17B10MEN1KMT2ACYP1A2
SCHEMBL6714802 0.81 BLM (0.60) BLMHSD17B10MEN1KMT2ACYP1A2
SCHEMBL6714798 0.81 BLM (0.60) BLMHSD17B10MEN1KMT2ACYP1A2
SCHEMBL9851476 0.81 BLM (0.55) BLMHSD17B10MEN1KMT2ACYP1A2
SCHEMBL9847997 0.81 BLM (0.55) BLMHSD17B10MEN1KMT2ACYP1A2

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