SCHEMBL6903809

SCHEMBL6903809

CCCCCCCCCC(CCCCCC)OC(=O)c1ccc(C(=O)OC(CCCCCC)CCCCCCCCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 4/20 0.55
PRKCA P17252 1/20 0.51
PRKCD Q05655 1/20 0.51
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 4/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
ESR1 P03372 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
NR1H2 P55055 1/20 0.45
RNASEL Q05823 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PRSS1 P07477 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
SCHEMBL6669011 1.00 PNLIP (0.55) PNLIPPRKCAPRKCDALDH1A1NPC1
SCHEMBL16227358 0.98 PNLIP (0.54) PNLIPPRKCAPRKCDALDH1A1NPC1
SCHEMBL5373199 0.98 PNLIP (0.54) PNLIPPRKCAPRKCDALDH1A1NPC1
SCHEMBL6673103 0.98 PNLIP (0.53) PNLIPPRKCAPRKCDALDH1A1NPC1
SCHEMBL28723456 0.97 PNLIP (0.53) PNLIPPRKCAPRKCDALDH1A1NPC1
SCHEMBL2127419 0.94 PNLIP (0.63) PNLIPPRKCAPRKCDALDH1A1TSHR
SCHEMBL22684927 0.94 PNLIP (0.63) PNLIPPRKCAPRKCDALDH1A1TSHR
SCHEMBL22684922 0.94 PNLIP (0.63) PNLIPPRKCAPRKCDALDH1A1TSHR
SCHEMBL4944915 0.94 TP53 (0.54) PNLIPALDH1A1MAPTTSHRMEN1
SCHEMBL6670413 0.94 TP53 (0.54) PNLIPALDH1A1MAPTTSHRMEN1

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-0950668-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2004-05-12 EP disclosed
US-6228791-B1 CATALYST PREPARED BY CONTACTING MAGNESIUM COMPOUND, TETRAVALENT HALOGEN-CONTAINING TITANIUM COMPOUND, DIESTER OF AROMATIC DICARBOXYLIC ACID, AROMATIC HYDROCARBON AND ORGANIC ALUMINUM COMPOUND CONTAINING HYDROXYL GROUP TOHO TITANIUM CO., LTD. (JP) 2001-05-08 US disclosed
EP-0950668-A1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO., LTD. (JP) 1999-10-20 EP disclosed