Fluoride

Fluoride

SCHEMBL9841603

CCc1ccc(C(=O)Oc2ccc([S])cc2)cc1.CCc1ccc(C(=O)Oc2ccc([S])cc2)cc1.CCc1ccc(C(=O)Oc2ccc([S])cc2)cc1.CCc1ccc(C(=O)Oc2ccc([S])cc2)cc1.CCc1ccc(C(=O)Oc2ccc([S])cc2)cc1.F.F.F.F.F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PRSS1 P07477 3/20 0.46
KMT2A Q03164 3/20 0.46
F2 P00734 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RECQL P46063 1/20 0.44
THRB P10828 2/20 0.44
PARP10 Q53GL7 1/20 0.44
TMPRSS2 O15393 1/20 0.43
KLK1 P06870 1/20 0.43

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
SCHEMBL12199916 0.89 ALDH1A1 (0.57) TP53RXRARXRBALDH1A1PRSS1
SCHEMBL12154217 0.89 ALDH1A1 (0.57) TP53RXRARXRBALDH1A1PRSS1
SCHEMBL12154283 0.89 ALDH1A1 (0.57) TP53RXRARXRBALDH1A1PRSS1
SCHEMBL26832415 0.89 ALDH1A1 (0.57) TP53RXRARXRBALDH1A1PRSS1
Fluoride SCHEMBL9841404 0.89 MAPT (0.53) TP53PRSS1KMT2AF2PRSS2
Fluoride SCHEMBL9841387 0.86 MAPT (0.51) PRSS1KMT2ARAB9AMAPTLMNA
Fluoride SCHEMBL9841846 0.85 KMT2A (0.62) ALDH1A1PRSS1KMT2AMAPTLMNA
Fluoride SCHEMBL9841536 0.85 THRB (0.56) ALDH1A1KMT2AMAPTLMNATHRB
SCHEMBL11550359 0.84 TP53 (0.59) TP53RXRARXRBALDH1A1PRSS1
SCHEMBL12154284 0.84 TP53 (0.59) TP53RXRARXRBALDH1A1PRSS1

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