SCHEMBL9841284

SCHEMBL9841284

CC[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 4/20 0.42
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
F2 P00734 1/20 0.39
ATM Q13315 1/20 0.38
CA2 P00918 1/20 0.38
ELANE P08246 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 2/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 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
SCHEMBL9841937 0.92 HPGD (0.40) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9841263 0.90 GAA (0.39) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9841321 0.88 HPGD (0.37) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9841968 0.88 HPGD (0.37) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9841306 0.88 KMT2A (0.40) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL11129453 0.81 HPGD (0.44) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL11129450 0.81 HPGD (0.44) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL9841338 0.81 KMT2A (0.49) HPGDKMT2AHTTSMN1; SMN2TDP1
SCHEMBL12154243 0.80 L3MBTL1 (0.59) HPGDKMT2AHTTSMN1; SMN2TDP1
Fluoride SCHEMBL9841283 0.80 HPGD (0.43) HPGDKMT2AHTTSMN1; SMN2TDP1

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