Fluoride

Fluoride

SCHEMBL9841586

CCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.CCCc1ccc(C(=O)Oc2ccc([S])c(F)c2)cc1.F.F.F.F.F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
THRB P10828 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 2/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
PRSS1 P07477 3/20 0.42
ACR P10323 2/20 0.42
ALOX5 P09917 1/20 0.41
PLK1 P53350 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.38
F2 P00734 1/20 0.38
PRSS2 P07478 1/20 0.38

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 SCHEMBL9841672 0.93 MAPT (0.43) MAPTTHRBSMN1; SMN2NPC1KMT2A
Fluoride SCHEMBL9841540 0.91 MAPT (0.47) MAPTTHRBSMN1; SMN2KMT2APRSS1
Fluoride SCHEMBL9841811 0.91 RXRA (0.41) MAPTNPC1RAB9AKMT2APRSS1
Fluoride SCHEMBL9841899 0.90 PRSS1 (0.48) MAPTTHRBSMN1; SMN2KMT2APRSS1
Fluoride SCHEMBL9841923 0.90 PRSS1 (0.48) MAPTTHRBSMN1; SMN2KMT2APRSS1
Fluoride SCHEMBL9841904 0.90 PRSS1 (0.48) MAPTTHRBSMN1; SMN2KMT2APRSS1
Fluoride SCHEMBL9841273 0.85 MAPT (0.57) MAPTSMN1; SMN2NPC1KMT2APRSS1
Fluoride SCHEMBL9841883 0.85 MAPT (0.52) MAPTTHRBSMN1; SMN2SENP8SENP7
SCHEMBL15693579 0.84 MAPT (0.48) MAPTTHRBSMN1; SMN2SENP8SENP7
Fluoride SCHEMBL9841436 0.84 KMT2A (0.51) MAPTTHRBNPC1KMT2APLK1

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