Fluoride

Fluoride

SCHEMBL9841384

CCCCCc1ccc(C(=O)Oc2ccc([S])c(Cl)c2)cc1.CCCCCc1ccc(C(=O)Oc2ccc([S])c(Cl)c2)cc1.CCCCCc1ccc(C(=O)Oc2ccc([S])c(Cl)c2)cc1.CCCCCc1ccc(C(=O)Oc2ccc([S])c(Cl)c2)cc1.CCCCCc1ccc(C(=O)Oc2ccc([S])c(Cl)c2)cc1.F.F.F.F.F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 6/20 0.46
THRA P10827 5/20 0.45
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
RARB P10826 5/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RARA P10276 1/20 0.42
MTOR P42345 1/20 0.42
PLA2G4A P47712 1/20 0.42
PPARA Q07869 1/20 0.41

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 SCHEMBL9841390 0.99 THRB (0.47) MAPTSMN1; SMN2THRBTHRAPRSS1
Fluoride SCHEMBL9841689 0.99 THRB (0.47) MAPTSMN1; SMN2THRBTHRAPRSS1
Fluoride SCHEMBL9841183 0.99 THRB (0.47) MAPTSMN1; SMN2THRBTHRAPRSS1
Fluoride SCHEMBL9841343 0.96 MAPT (0.44) MAPTSMN1; SMN2THRBTHRAPRSS1
Fluoride SCHEMBL9841883 0.91 MAPT (0.52) MAPTSMN1; SMN2THRBPRSS1ACR
Fluoride SCHEMBL9842071 0.87 RXRA (0.41) MAPTSMN1; SMN2PRSS1NPC1CASP3
Fluoride SCHEMBL9841278 0.86 MAPT (0.57) MAPTSMN1; SMN2PRSS1ACRNPC1
Fluoride SCHEMBL9841540 0.86 MAPT (0.47) MAPTSMN1; SMN2THRBTHRAPRSS1
Fluoride SCHEMBL9841665 0.86 NPC1 (0.57) MAPTSMN1; SMN2PRSS1ACRNPC1
Fluoride SCHEMBL9841399 0.86 NPC1 (0.57) MAPTSMN1; SMN2PRSS1ACRNPC1

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