SCHEMBL22202986

SCHEMBL22202986

CC(O)C[C@@H](CSc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
PPARD Q03181 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MMP13 P45452 1/20 0.43
APP P05067 2/20 0.42
SYK P43405 1/20 0.42
CTSK P43235 4/20 0.42
CTSS P25774 3/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CYP3A4 P08684 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
SCHEMBL2945955 0.86 ATM (0.50) ATMMTNR1AMTNR1BPPARGPPARA
SCHEMBL28499654 0.85 ATM (0.49) ATMMTNR1AMTNR1BPPARGPPARA
SCHEMBL22409416 0.85 PLA2G10 (0.50) ATMMTNR1AMTNR1BPPARGPPARA
SCHEMBL22409417 0.85 PLA2G10 (0.50) ATMMTNR1AMTNR1BPPARGPPARA
SCHEMBL22203002 0.84 ATM (0.48) ATMMTNR1AMTNR1BPPARGPPARA
SCHEMBL7321063 0.84 ATM (0.64) ATMPPARGPPARAPPARDAPP
SCHEMBL22409489 0.84 ATM (0.48) ATMMTNR1AMTNR1BPPARGPPARA
SCHEMBL22202987 0.84 ATM (0.48) ATMMTNR1AMTNR1BPPARGPPARA
SCHEMBL19014888 0.84 ATM (0.48) ATMMTNR1AMTNR1BPPARGPPARA
SCHEMBL9404273 0.83 MTNR1A (0.64) ATMMTNR1AMTNR1BPPARGPPARA

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-2020140956-A1 PROCESS FOR PREPARING SULFONAMIDE COMPOUNDS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2020-07-09 WO disclosed