SCHEMBL28407544

SCHEMBL28407544

O=C(NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1)NC1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.76
PPARG P37231 7/20 0.75
TSHR P16473 4/20 0.69
LMNA P02545 3/20 0.69
BLM P54132 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
CYP3A4 P08684 2/20 0.69
MAPT P10636 2/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
HTR1A P08908 1/20 0.69
NFKB1 P19838 1/20 0.69
CNR1 P21554 1/20 0.69
ADRA1A P35348 1/20 0.69
EPHX1 P07099 5/20 0.67
NPC1 O15118 1/20 0.66
TP53 P04637 1/20 0.66
EPHX2 P34913 1/20 0.66
RAB9A P51151 1/20 0.66
ADORA3 P0DMS8 1/20 0.64

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
SCHEMBL28407181 0.93 PPARG (0.76) ATMPPARGTSHRLMNABLM
SCHEMBL11874263 0.90 PPARG (0.69) ATMPPARGTSHRLMNABLM
SCHEMBL12857011 0.89 PPARG (0.67) ATMPPARGTSHRLMNABLM
SCHEMBL12869021 0.89 PPARG (0.67) ATMPPARGTSHRLMNABLM
SCHEMBL9102046 0.86 PPARG (0.69) ATMPPARGTSHRLMNABLM
SCHEMBL28536164 0.86 ATM (1.00) ATMPPARGTSHRSMN1; SMN2EPHX1
SCHEMBL28465800 0.86 PPARG (0.63) ATMPPARGTSHRLMNABLM
SCHEMBL27513111 0.86 PPARG (1.00) ATMPPARGTSHRLMNABLM
SCHEMBL11881278 0.85 PPARG (0.67) ATMPPARGTSHRLMNABLM
SCHEMBL6135221 0.84 PPARG (0.69) ATMPPARGTSHRLMNABLM

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