Fluoride

Fluoride

SCHEMBL28016642

F.O=C(c1ccccc1)S(=O)(=O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.48
CES2 O00748 4/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
TDP1 Q9NUW8 4/20 0.44
MAPT P10636 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP3A4 P08684 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1728427 0.97 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL28136722 0.95 CES1 (0.48) CES1CES2TSHRALDH1A1DAO
Hydrochloric Acid SCHEMBL27590007 0.95 CES1 (0.48) CES1CES2TSHRALDH1A1DAO
SCHEMBL28835843 0.87 CES2 (0.45) CES1CES2TSHRALDH1A1DAO
SCHEMBL2813323 0.80 L3MBTL1 (0.46) CES1CES2TSHRALDH1A1DAO
SCHEMBL27552924 0.79 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
Benzene SCHEMBL23781729 0.79 PARP10 (0.58) TSHRCA2SMN1; SMN2CA1CA9
SCHEMBL6844400 0.77 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL474271 0.75 CES1 (0.48) CES1CES2TSHRALDH1A1DAO
SCHEMBL4031038 0.75 CES1 (0.48) CES1CES2TSHRALDH1A1DAO

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
CN-105002156-A Immobilization method for hydroperoxide lyase UNIV GUANGXI 2015-10-28 CN disclosed