SCHEMBL4749902

SCHEMBL4749902

COc1ccc(C=CC(=O)N2CCN(c3nc(C(C)C)cc4c3C(=O)OCC4)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 11/20 0.53
ACHE P22303 1/20 0.44
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4747137 0.91 L3MBTL1 (0.53) ACHEALDH1A1L3MBTL1
SCHEMBL4746545 0.91 ME2 (0.44) GPR183MAPTALDH1A1NPC1RAB9A
SCHEMBL4749877 0.89 KDM4E (0.46) GPR183ACHEMAPTALDH1A1NPC1
SCHEMBL4747050 0.87 KDM4E (0.52) MAPTALDH1A1NPC1RAB9AHTT
SCHEMBL4749260 0.84 CCNC (0.38) ACHEMAPTALDH1A1NPC1RAB9A
SCHEMBL4750248 0.83 LMNA (0.47) TP53ALDH1A1L3MBTL1
SCHEMBL4809360 0.78 L3MBTL1 (0.53) ACHEMAPTALDH1A1L3MBTL1
SCHEMBL4817000 0.77 ME2 (0.44) GPR183MAPTALDH1A1NPC1RAB9A
SCHEMBL4749968 0.76 KDM4E (0.48) GPR183ACHEMAPTALDH1A1NPC1
SCHEMBL4749965 0.76 KDM4E (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO disclosed