SCHEMBL9841306

SCHEMBL9841306

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CA2 P00918 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
F2 P00734 1/20 0.39
ATM Q13315 1/20 0.38
ELANE P08246 1/20 0.37
MEN1 O00255 1/20 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
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAP2K1 Q02750 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 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
SCHEMBL9841287 0.91 ATM (0.39) KMT2AHTTSMN1; SMN2TDP1CA2
SCHEMBL9841446 0.89 MAPT (0.39) KMT2AHTTSMN1; SMN2TDP1CA2
SCHEMBL9841284 0.88 HPGD (0.42) KMT2AHTTSMN1; SMN2TDP1CA2
SCHEMBL9841552 0.87 HTT (0.37) KMT2AHTTSMN1; SMN2TDP1CA2
SCHEMBL9841382 0.87 HTT (0.37) KMT2AHTTSMN1; SMN2TDP1CA2
SCHEMBL12154150 0.86 KMT2A (0.45) KMT2AHTTSMN1; SMN2TDP1CA2
Fluoride SCHEMBL9841305 0.81 KMT2A (0.41) KMT2AHTTSMN1; SMN2TDP1CA2
SCHEMBL9841338 0.81 KMT2A (0.49) KMT2AHTTSMN1; SMN2TDP1CA2
SCHEMBL8025327 0.80 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1CA2
SCHEMBL12154243 0.80 L3MBTL1 (0.59) KMT2AHTTSMN1; SMN2TDP1CA2

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