SCHEMBL7922690

SCHEMBL7922690

COC(=O)Cc1nc(N2CCOCC2)sc1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PIK3CD O00329 6/20 0.49
PIK3CB P42338 6/20 0.49
PIK3CA P42336 2/20 0.49
AR P10275 1/20 0.44
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
PIK3CG P48736 1/20 0.40
F2 P00734 1/20 0.40
F2RL3 Q96RI0 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
SCHEMBL7914533 0.85 GAA (0.45) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL15349299 0.82 AR (0.51) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL7914512 0.78 PPARG (0.46) ALDH1A1GAAMAPTSMN1; SMN2PPARG
SCHEMBL15348861 0.77 PIK3CD (0.52) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL6281444 0.76 AR (0.49) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL4845510 0.76 AR (0.51) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL28202094 0.76 AR (0.51) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL4851509 0.76 ALDH1A1 (0.50) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL19034737 0.74 AR (0.44) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL15709871 0.74 KDM4E (0.57) ALDH1A1GAAMAPTKDM4EL3MBTL1

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