SCHEMBL9851476

SCHEMBL9851476

CC(N)(Cc1ccc(O)cc1CF)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.55
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 3/20 0.48
EGFR P00533 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 2/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
ALOX15 P16050 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
FYN P06241 1/20 0.48
GAA P10253 1/20 0.48
APEX1 P27695 1/20 0.48
ADRA1A P35348 1/20 0.48
PTGS2 P35354 1/20 0.48
MTOR P42345 1/20 0.48

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
SCHEMBL9847997 1.00 BLM (0.55) BLMALDH1A1HSD17B10CYP3A4EGFR
SCHEMBL13086896 0.83 BLM (0.57) BLMALDH1A1HSD17B10CYP3A4EGFR
SCHEMBL13086903 0.83 BLM (0.57) BLMALDH1A1HSD17B10CYP3A4EGFR
SCHEMBL12679277 0.83 BLM (0.57) BLMALDH1A1HSD17B10CYP3A4EGFR
SCHEMBL6716593 0.83 BLM (0.60) BLMALDH1A1HSD17B10CYP3A4EGFR
SCHEMBL6714798 0.83 BLM (0.60) BLMALDH1A1HSD17B10CYP3A4EGFR
SCHEMBL6716600 0.83 BLM (0.60) BLMALDH1A1HSD17B10CYP3A4EGFR
SCHEMBL6714802 0.83 BLM (0.60) BLMALDH1A1HSD17B10CYP3A4EGFR
SCHEMBL22074721 0.81 BLM (0.58) BLMALDH1A1HSD17B10CYP3A4EGFR
SCHEMBL9847966 0.81 BLM (0.54) BLMALDH1A1HSD17B10CYP3A4EGFR

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