SCHEMBL8199845

SCHEMBL8199845

C/C=C/c1ccc2c(c1)CN(C(=O)OCC)CCS2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
RYR2 Q92736 15/20 0.48
ALOX15 P16050 1/20 0.46
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6867211 0.85 HDAC1 (0.50) RYR2
SCHEMBL13622120 0.84 RYR2 (0.48) RYR2
SCHEMBL12920652 0.84 RYR2 (0.51) RYR2
SCHEMBL8224013 0.76 RYR2 (0.43) RYR2
SCHEMBL8000612 0.76 RYR2 (0.54) RYR2
SCHEMBL3426977 0.72 RYR2 (0.53) RYR2MEN1KMT2A
SCHEMBL8118319 0.70 RYR2 (0.71) RYR2
SCHEMBL26344322 0.69 RYR2 (0.58) RYR2MEN1KMT2A
SCHEMBL6866549 0.69 RYR2 (0.50) RYR2
SCHEMBL15672237 0.69 RYR2 (0.55) RYR2

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
WO-2008060332-A2 METHODS FOR TREATING OR REDUCING MUSCLE FATIGUE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-05-22 WO disclosed