SCHEMBL9841968

SCHEMBL9841968

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LSS P48449 2/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34
F2 P00734 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL9841321 1.00 HPGD (0.37) HPGDHTTKMT2AATMMEN1
SCHEMBL9841263 0.96 GAA (0.39) HPGDHTTKMT2AATMGAA
SCHEMBL9841937 0.91 HPGD (0.40) HPGDHTTKMT2AATMMEN1
SCHEMBL9841382 0.88 HTT (0.37) HTTKMT2AATMMEN1GAA
SCHEMBL9841552 0.88 HTT (0.37) HTTKMT2AATMMEN1GAA
SCHEMBL9841284 0.88 HPGD (0.42) HPGDHTTKMT2AATMMEN1
SCHEMBL11211401 0.86 LSS (0.39) HPGDHTTKMT2AATMMEN1
SCHEMBL11211399 0.86 LSS (0.39) HPGDHTTKMT2AATMMEN1
SCHEMBL9841446 0.84 MAPT (0.39) HPGDHTTKMT2AATMGAA
SCHEMBL10779622 0.83 THRB (0.41) HPGDHTTKMT2AATMMEN1

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