Fluoride

Fluoride

SCHEMBL9841811

CCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.F.F.F.F.F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RECQL P46063 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
NPC1 O15118 1/20 0.37

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
Fluoride SCHEMBL9841586 0.91 MAPT (0.45) ALDH1A1KMT2AMAPTGAATDP1
Fluoride SCHEMBL9841672 0.89 MAPT (0.43) KMT2AMAPTLMNAPRSS1NPC1
Fluoride SCHEMBL9841436 0.88 KMT2A (0.51) ALDH1A1KMT2AMAPTLMNANPC1
Fluoride SCHEMBL9841540 0.87 MAPT (0.47) ALDH1A1KMT2AMAPTMEN1PRSS1
Fluoride SCHEMBL9841923 0.86 PRSS1 (0.48) ALDH1A1KMT2AMAPTMEN1PRSS1
Fluoride SCHEMBL9841904 0.86 PRSS1 (0.48) ALDH1A1KMT2AMAPTMEN1PRSS1
Fluoride SCHEMBL9841899 0.86 PRSS1 (0.48) ALDH1A1KMT2AMAPTMEN1PRSS1
Fluoride SCHEMBL9841273 0.85 MAPT (0.57) TP53KMT2AMAPTLMNARECQL
SCHEMBL12199929 0.84 MAOA (0.50) RXRARXRBTP53ALDH1A1KMT2A
SCHEMBL9841908 0.84 MAPT (0.52) KMT2AMAPTMEN1KDM4ELMNA

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
US-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed