SCHEMBL4747137

SCHEMBL4747137

COc1ccc(C=CC(=O)N2CCN(c3nc(C(C)C)cc4c3C(=O)OCC4)CC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 6/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 3/20 0.48
ACHE P22303 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
APP P05067 1/20 0.45
HPGD P15428 1/20 0.45
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL4749902 0.91 GPR183 (0.53) L3MBTL1ALDH1A1ACHE
SCHEMBL4747050 0.89 KDM4E (0.52) L3MBTL1KDM4EKMT2AALDH1A1MEN1
SCHEMBL4746545 0.88 ME2 (0.44) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4809360 0.87 L3MBTL1 (0.53) L3MBTL1KDM4EKMT2AALDH1A1TDP1
SCHEMBL4749877 0.86 KDM4E (0.46) KDM4EKMT2AALDH1A1TDP1MEN1
SCHEMBL4750248 0.84 LMNA (0.47) L3MBTL1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL4749965 0.75 KDM4E (0.43) KDM4EKMT2AALDH1A1MEN1MAPK1
SCHEMBL4817000 0.75 ME2 (0.44) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4749968 0.74 KDM4E (0.48) KDM4EKMT2AALDH1A1TDP1MEN1
SCHEMBL4749356 0.71 KDM4E (0.42) KDM4EKMT2AALDH1A1MAPK1HPGD

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