SCHEMBL9841520

SCHEMBL9841520

CCCCC[C@H]1CC[C@H](C(=O)Oc2ccc(S(F)(F)(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
CCR2 P41597 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL9841740 0.99 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841725 0.99 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841176 0.99 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841425 0.96 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841751 0.96 KMT2A (0.44) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9842010 0.95 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841810 0.95 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841211 0.95 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841607 0.93 KMT2A (0.41) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL9841966 0.91 HTT (0.46) HTTKMT2ASMN1; SMN2TDP1F2

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