SCHEMBL7914512

SCHEMBL7914512

COC(=O)Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
ACHE P22303 2/20 0.41
GAA P10253 1/20 0.40
GPR119 Q8TDV5 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C19 P33261 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37
NR2F2 P24468 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4850288 0.85 PPARG (0.46) PPARGACHEGPR119SMN1; SMN2MEN1
SCHEMBL27413265 0.84 PPARG (0.44) PPARGACHEGPR119SMN1; SMN2MEN1
SCHEMBL7920834 0.84 PPARG (0.49) PPARGACHEGPR119SMN1; SMN2MEN1
SCHEMBL7914533 0.82 GAA (0.45) PPARGGAASMN1; SMN2KMT2AMAPT
SCHEMBL4850285 0.80 DPP4 (0.47) PPARGACHEGPR119SMN1; SMN2MEN1
SCHEMBL4850437 0.78 PPARG (0.42) PPARGACHEGAAGPR119SMN1; SMN2
SCHEMBL7922690 0.78 ALDH1A1 (0.51) PPARGGAASMN1; SMN2MAPTTSHR
SCHEMBL19056939 0.77 CKS1B (0.44) PPARGACHEGPR119SMN1; SMN2MEN1
SCHEMBL4885583 0.74 MEN1 (0.48) PPARGGPR119SMN1; SMN2MEN1KMT2A
SCHEMBL1146996 0.73 CKS1B (0.46) PPARGGAAGPR119SMN1; SMN2MEN1

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