SCHEMBL4948336

SCHEMBL4948336

C[C](CCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.50
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
ALDH1A1 P00352 5/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
KDM4E B2RXH2 5/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 2/20 0.44
GMNN O75496 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
KMT2A Q03164 2/20 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
SCHEMBL5079813 0.90 GPR52 (0.48) GPR52CYP1A1CYP1B1ALDH1A1NR4A1
SCHEMBL9800434 0.83 CYP2C19 (0.45) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL758421 0.82 KDM4E (0.50) GPR52ALDH1A1NR4A1NR4A2NR4A3
SCHEMBL4820532 0.82 MEN1 (0.49) ALDH1A1NR4A1NR4A2NR4A3CNR1
SCHEMBL8804035 0.80 GPR52 (0.48) GPR52CYP1A1CYP1B1ALDH1A1NR4A1
SCHEMBL6028023 0.79 HPGD (0.46) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL7239901 0.78 GPR52 (0.49) GPR52CYP1A1CYP1B1ALDH1A1NR4A1
SCHEMBL7267678 0.77 GPR52 (0.48) GPR52CYP1A1CYP1B1ALDH1A1NR4A1
SCHEMBL4818412 0.76 NR4A1 (0.50) ALDH1A1NR4A1NR4A2NR4A3CNR1
SCHEMBL2200928 0.75 CDC25B (0.68) GPR52CYP1A1CYP1B1ALDH1A1NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358069-B1 IMPROVED INK JET PRINTING PAPER AND METHODS FOR PRODUCING AND USING THE SAME ONDEO NALCO CO (US) 2008-09-10 EP disclosed
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-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
EP-0605681-A1 SULPHAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-07-13 EP disclosed
WO-1993024475-A1 SULPHAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS CELLTECH LIMITED (GB) 1993-12-09 WO disclosed