SCHEMBL7987728

SCHEMBL7987728

CS(=O)(=O)OC(Cc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.43
SLC6A2 P23975 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.42
EPHX1 P07099 1/20 0.41
CYP24A1 Q07973 1/20 0.41
SLC18A2 Q05940 1/20 0.41
CYP2D6 P10635 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
SRR Q9GZT4 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3593147 0.90 MEN1 (0.43) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL22441312 0.86 TAAR1 (0.47) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL3589541 0.86 TAAR1 (0.47) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL21378558 0.86 TAAR1 (0.47) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL9023752 0.82 CYP24A1 (0.41) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL16550740 0.82 MEN1 (0.40) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL15319339 0.82 MEN1 (0.40) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL17372882 0.82 MEN1 (0.40) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL16666612 0.82 MEN1 (0.40) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL6935167 0.82 LAP3 (0.44) TAAR1SLC6A2SIGMAR1MAOASLC6A4

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-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed