SCHEMBL9841263

SCHEMBL9841263

CCCC[C@H]1CC[C@H](C(=O)Oc2ccc(S(F)(F)(F)(F)F)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 4/20 0.39
ATM Q13315 1/20 0.37
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F2 P00734 1/20 0.35
CA2 P00918 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL9841968 0.96 HPGD (0.37) GAAMAPTHPGDATMKMT2A
SCHEMBL9841321 0.96 HPGD (0.37) GAAMAPTHPGDATMKMT2A
SCHEMBL9841937 0.93 HPGD (0.40) MAPTHPGDATMKMT2AHTT
SCHEMBL9841284 0.90 HPGD (0.42) MAPTHPGDATMKMT2AHTT
SCHEMBL9841446 0.88 MAPT (0.39) GAAMAPTHPGDATMKMT2A
SCHEMBL9841552 0.84 HTT (0.37) GAAMAPTATMKMT2AHTT
SCHEMBL9841382 0.84 HTT (0.37) GAAMAPTATMKMT2AHTT
Fluoride SCHEMBL9841262 0.82 GAA (0.40) GAAMAPTHPGDATMKMT2A
SCHEMBL9841751 0.82 KMT2A (0.44) GAAMAPTHPGDATMKMT2A
SCHEMBL11211399 0.81 LSS (0.39) GAAMAPTHPGDATMKMT2A

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