SCHEMBL5079813

SCHEMBL5079813

C[C](CCCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
MAPK1 P28482 2/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
HDAC3 O15379 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 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
SCHEMBL4948336 0.90 GPR52 (0.50) GPR52KDM4EALDH1A1SCN5ASCN2A
SCHEMBL7267678 0.81 GPR52 (0.48) GPR52KDM4EALDH1A1SCN5ASCN2A
SCHEMBL758421 0.80 KDM4E (0.50) GPR52KDM4EALDH1A1CNR1CNR2
SCHEMBL4820532 0.79 MEN1 (0.49) KDM4EALDH1A1CNR1CNR2MAPK1
SCHEMBL4818412 0.77 NR4A1 (0.50) KDM4EALDH1A1CNR1CNR2MAPK1
SCHEMBL9800434 0.77 CYP2C19 (0.45) KDM4EALDH1A1MAPK1NR4A1NR4A2
SCHEMBL6028023 0.76 HPGD (0.46) KDM4EALDH1A1MAPK1NR4A1NR4A2
SCHEMBL8935956 0.76 SCN5A (0.45) GPR52KDM4EALDH1A1SCN5ASCN2A
SCHEMBL8804035 0.74 GPR52 (0.48) GPR52KDM4EALDH1A1SCN5ASCN2A
SCHEMBL9293120 0.74 NPC1 (0.50) KDM4EALDH1A1SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962832-A2 COMBINATIONS OF A QUALENE SYNTHASE INHIBITOR AND A HMG-COA REDUCTASE INHIBITOR FOR TREATING HYPERLIPIDEMIA Takeda Pharmaceutical Company Limited (JP) 2008-09-03 EP disclosed
WO-2007099650-A1 PEPTIDE LIPID-CONTAINING CARRIER AND METHOD FOR INTRODUCING COMPOUND INTO CELLS USING SAME FUKUOKA PREFECTURAL GOVERNMENT (JP) 2007-09-07 WO disclosed
WO-2006129859-A2 COMBINATIONS OF A SQUALENE SYNTHASE INHIBITOR AND A HMG-COA REDUCTASE INHIBITOR FOR TREATING HYPERLIPIDEMIA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-12-07 WO disclosed