SCHEMBL8584065

SCHEMBL8584065

COC(=O)c1cc(S(C)(=O)=O)c(C2CC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
HTT P42858 1/20 0.39
SLC9A1 P19634 2/20 0.39
KDM4E B2RXH2 6/20 0.39
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8585228 0.95 SCN9A (0.40) GAAHTTSLC9A1KDM4EHSD17B10
SCHEMBL8582854 0.95 KDM4E (0.40) GAAHTTSLC9A1KDM4EHSD17B10
SCHEMBL8580817 0.93 ALDH1A1 (0.42) GAAHTTSLC9A1KDM4EHSD17B10
SCHEMBL8584023 0.84 SLC9A1 (0.50) SLC9A1KDM4EHSD17B10PDK2PDK4
SCHEMBL8578049 0.83 ALDH1A1 (0.43) SLC9A1HSD17B10ALDH1A1TSHRHPGD
SCHEMBL8585395 0.83 SLC9A1 (0.39) GAASLC9A1KDM4EHSD17B10KMT2A
SCHEMBL8583639 0.82 GAA (0.36) GAAHTTKDM4EHSD17B10MEN1
SCHEMBL8581635 0.82 SLC9A1 (0.41) SLC9A1KDM4ECA1CA2ALDH1A1
SCHEMBL8532879 0.81 SLC9A1 (0.58) SLC9A1
SCHEMBL8585098 0.80 GAA (0.39) GAASLC9A1KDM4EKMT2AALDH1A1

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-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 US disclosed