SCHEMBL9841287

SCHEMBL9841287

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
CA2 P00918 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 0.38
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 2/20 0.34
CYP2C9 P11712 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAP2K1 Q02750 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL9841446 0.93 MAPT (0.39) ATMCA2KMT2AHTTSMN1; SMN2
SCHEMBL9841382 0.91 HTT (0.37) ATMCA2KMT2AHTTSMN1; SMN2
SCHEMBL9841552 0.91 HTT (0.37) ATMCA2KMT2AHTTSMN1; SMN2
SCHEMBL9841306 0.91 KMT2A (0.40) ATMCA2KMT2AHTTSMN1; SMN2
SCHEMBL9841937 0.87 HPGD (0.40) ATMCA2KMT2AHTTSMN1; SMN2
SCHEMBL14525816 0.85 ATM (0.42) ATMCA2KMT2AHTTSMN1; SMN2
SCHEMBL16596658 0.84 ATM (0.41) ATMCA2KMT2AHTTSMN1; SMN2
SCHEMBL7507788 0.83 ATM (0.41) ATMCA2KMT2AHTTSMN1; SMN2
SCHEMBL8377991 0.83 CHRNA3 (0.45) ATMCA2KMT2AHTTSMN1; SMN2
SCHEMBL8377989 0.83 CHRNA3 (0.45) ATMCA2KMT2AHTTSMN1; 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