SCHEMBL9841937

SCHEMBL9841937

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
ATM Q13315 1/20 0.39
KMT2A Q03164 4/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
F2 P00734 1/20 0.37
CA2 P00918 1/20 0.36
ELANE P08246 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 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
SCHEMBL9841263 0.93 GAA (0.39) HPGDATMKMT2AHTTSMN1; SMN2
SCHEMBL9841284 0.92 HPGD (0.42) HPGDATMKMT2AHTTSMN1; SMN2
SCHEMBL9841321 0.91 HPGD (0.37) HPGDATMKMT2AHTTSMN1; SMN2
SCHEMBL9841968 0.91 HPGD (0.37) HPGDATMKMT2AHTTSMN1; SMN2
SCHEMBL9841287 0.87 ATM (0.39) ATMKMT2AHTTSMN1; SMN2TDP1
SCHEMBL8377991 0.82 CHRNA3 (0.45) HPGDATMKMT2AHTTSMN1; SMN2
SCHEMBL8377989 0.82 CHRNA3 (0.45) HPGDATMKMT2AHTTSMN1; SMN2
SCHEMBL11034715 0.82 HPGD (0.40) HPGDATMKMT2AHTTSMN1; SMN2
SCHEMBL3285878 0.82 HPGD (0.40) HPGDATMKMT2AHTTSMN1; SMN2
Fluoride SCHEMBL9841928 0.81 HPGD (0.41) HPGDATMKMT2AHTTSMN1; SMN2

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