SCHEMBL7921396

SCHEMBL7921396

Cc1ccc(S(=O)(=O)OCC2CCCN2c2nc3ccccc3o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
LMNA P02545 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
CHRNA7 P36544 1/20 0.44
HTR3A P46098 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 3/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN5 P54829 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
XDH P47989 1/20 0.39
NLRP3 Q96P20 1/20 0.39
GABRP O00591 1/20 0.38

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
SCHEMBL5068679 0.80 CHRNA7 (0.49) TSHRLMNAKMT2AMEN1MAPT
SCHEMBL5021501 0.79 CHRNA7 (0.48) TSHRLMNAKMT2AMEN1MAPT
SCHEMBL5672184 0.76 CHRNA7 (0.54) TSHRLMNAKMT2AMEN1MAPT
SCHEMBL5672002 0.76 CHRNA7 (0.54) TSHRLMNAKMT2AMEN1MAPT
SCHEMBL30097204 0.75 CHRNA7 (0.43) LMNAKMT2AMAPTCHRNA7HTR3A
SCHEMBL9032183 0.74 CHRNA7 (0.43) TSHRLMNAMAPTCHRNA7HTR3A
SCHEMBL9032175 0.74 CHRNA7 (0.43) TSHRLMNAMAPTCHRNA7HTR3A
SCHEMBL9030802 0.72 CHRNA7 (0.58) TSHRLMNAKMT2AMEN1MAPT
SCHEMBL9030809 0.72 CHRNA7 (0.58) TSHRLMNAKMT2AMEN1MAPT
SCHEMBL12428110 0.72 HTR6 (0.50) CHRNA7

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
US-6294580-B1 FOR THERAPY AND PROPHYLAXIS OF TYPE II OR NON-INSULIN DEPENDENT DIABETES MELLITUS, HYPERGLYCAEMIA, DYSLIPIDEMIA, TYPE II DIABETES, TYPE I DIABETES, HYPERTRIGLYCERIDEMIA, SYNDROME X, INSULIN RESISTANCE, HEART FAILURE GLAXO WELLCOME INC. 2001-09-25 US disclosed
EP-0888317-B1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LTD (GB) 2001-09-12 EP disclosed
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 EP disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 WO disclosed