SCHEMBL28407181

SCHEMBL28407181

O=C(O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.76
TSHR P16473 4/20 0.70
LMNA P02545 3/20 0.70
BLM P54132 3/20 0.70
CYP2C9 P11712 3/20 0.70
CYP3A4 P08684 2/20 0.70
MAPT P10636 2/20 0.70
CYP2C19 P33261 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HTR1A P08908 1/20 0.70
NFKB1 P19838 1/20 0.70
CNR1 P21554 1/20 0.70
ADRA1A P35348 1/20 0.70
ATM Q13315 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
ALDH1A1 P00352 3/20 0.61
ABCC8 Q09428 2/20 0.61
KCNH2 Q12809 2/20 0.61
MEN1 O00255 2/20 0.61
ABCC3 O15438 2/20 0.61

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
SCHEMBL28407544 0.93 ATM (0.76) PPARGTSHRLMNABLMCYP2C9
SCHEMBL11874263 0.88 PPARG (0.69) PPARGTSHRLMNABLMCYP2C9
SCHEMBL12857011 0.86 PPARG (0.67) PPARGTSHRLMNABLMCYP2C9
SCHEMBL12869021 0.86 PPARG (0.67) PPARGTSHRLMNABLMCYP2C9
SCHEMBL27513111 0.86 PPARG (1.00) PPARGTSHRLMNABLMCYP2C9
SCHEMBL9102046 0.84 PPARG (0.69) PPARGTSHRLMNABLMCYP2C9
SCHEMBL28465800 0.84 PPARG (0.63) PPARGTSHRLMNABLMCYP2C9
SCHEMBL6135221 0.84 PPARG (0.69) PPARGTSHRLMNABLMCYP2C9
SCHEMBL7714524 0.83 TSHR (0.72) PPARGTSHRLMNABLMCYP2C9
Glipizide SCHEMBL17094 0.83 TSHR (1.00) PPARGTSHRLMNABLMCYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN claimed
CN-112578045-B Detection method for simultaneously determining content of 8 compounds in glipizide drugs 山东则正医药技术有限公司 2021-07-30 CN disclosed
CN-112578045-A Detection method for simultaneously determining content of 8 compounds in glipizide drugs 山东则正医药技术有限公司 2021-03-30 CN disclosed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN disclosed