SCHEMBL9841607

SCHEMBL9841607

CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(S(F)(F)(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
F2 P00734 1/20 0.40
ELANE P08246 1/20 0.39
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 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
SCHEMBL9841425 0.97 HTT (0.40) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL9841751 0.96 KMT2A (0.44) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL9841211 0.95 HTT (0.40) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL9841810 0.95 HTT (0.40) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL9842010 0.95 HTT (0.40) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL9841311 0.93 HTT (0.43) KMT2AHTTSMN1; SMN2TDP1MAPT
SCHEMBL9841520 0.93 HTT (0.43) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL9841176 0.92 HTT (0.42) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL9841740 0.92 HTT (0.42) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL9841725 0.92 HTT (0.42) KMT2AHTTSMN1; SMN2TDP1GAA

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