SCHEMBL4750248

SCHEMBL4750248

CC(C)c1cc2c(c(N3CCN(C(=O)C=Cc4cccc(C(F)(F)F)c4)CC3)n1)C(=O)OCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
CCR2 P41597 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
PDK1 Q15118 2/20 0.38
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL4746545 0.85 ME2 (0.44) LMNAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL4747137 0.84 L3MBTL1 (0.53) LMNAALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL4749902 0.83 GPR183 (0.53) ALDH1A1TP53L3MBTL1
SCHEMBL4749260 0.82 CCNC (0.38) LMNAALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL4747050 0.80 KDM4E (0.52) LMNAALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL4749877 0.77 KDM4E (0.46) LMNAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL4749965 0.74 KDM4E (0.43) ALDH1A1HPGDKDM4EPOLBHRH4
SCHEMBL4817000 0.73 ME2 (0.44) LMNAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL4749923 0.73 KDM4E (0.44) ALDH1A1HPGDSMN1; SMN2KDM4EPOLB
SCHEMBL4809360 0.73 L3MBTL1 (0.53) LMNAALDH1A1HPGDSMN1; SMN2L3MBTL1

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 1 patent. 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