SCHEMBL13616963

SCHEMBL13616963

COC(=O)C1=C(c2ccc(C)cc2)CCC(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 13/20 0.47
SLC6A2 P23975 9/20 0.46
SLC6A4 P31645 1/20 0.46
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL30857699 0.87 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL1114114 0.87 SLC6A3 (0.63) SLC6A3SLC6A2SLC6A4
SCHEMBL22335527 0.77 SLC6A2 (0.40) SLC6A3SLC6A2SLC6A4ALDH1A1HSD17B10
SCHEMBL6499702 0.77 SLC6A3 (0.74) SLC6A3SLC6A2SLC6A4TDP1
SCHEMBL524482 0.76 SLC6A3 (0.63) SLC6A3SLC6A2SLC6A4MAPT
SCHEMBL6503574 0.76 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4TDP1
SCHEMBL20366936 0.75 ALDH1A1 (0.36) SLC6A3SLC6A2SLC6A4ALDH1A1MAPT
SCHEMBL22325333 0.74 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL30857682 0.73 SLC6A3 (0.63) SLC6A3SLC6A2SLC6A4
SCHEMBL16037864 0.73 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4MAPTCHRM2

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-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 WO disclosed