SCHEMBL27489574

SCHEMBL27489574

CS(=O)(=O)O[C@H](Cc1ccccc1)C1OCCO1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP24A1 Q07973 1/20 0.34
SLC6A2 P23975 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MOGAT2 Q3SYC2 1/20 0.33

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
SCHEMBL27489575 1.00 MEN1 (0.35) MEN1KMT2ACYP24A1SLC6A2TAAR1
SCHEMBL7309489 0.75 ANPEP (0.35) MEN1KMT2ACYP24A1SLC6A2TAAR1
SCHEMBL7987728 0.75 TAAR1 (0.43) MEN1KMT2ACYP24A1SLC6A2TAAR1
SCHEMBL16666612 0.74 MEN1 (0.40) MEN1KMT2ACYP24A1SLC6A2TAAR1
SCHEMBL22441312 0.73 TAAR1 (0.47) MEN1KMT2ASLC6A2TAAR1SIGMAR1
SCHEMBL3589541 0.73 TAAR1 (0.47) MEN1KMT2ASLC6A2TAAR1SIGMAR1
SCHEMBL21378558 0.73 TAAR1 (0.47) MEN1KMT2ASLC6A2TAAR1SIGMAR1
SCHEMBL3284783 0.71 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL17372882 0.70 MEN1 (0.40) MEN1KMT2ACYP24A1SLC6A2TAAR1
SCHEMBL16550740 0.70 MEN1 (0.40) MEN1KMT2ACYP24A1SLC6A2TAAR1

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
CN-1120040-A Identification and use of protease inhibitors LILLY CO ELI (US) 1996-04-10 CN disclosed