SCHEMBL1766003

SCHEMBL1766003

COc1cc(CC=O)ccc1OCCCCl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
FDPS P14324 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 4/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS1 P23219 1/20 0.44
CA2 P00918 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
SCHEMBL10718763 0.94 PPARA (0.55) PPARAFDPSALDH1A1MAPTPPARG
SCHEMBL8788295 0.94 FDPS (0.51) PPARAFDPSALDH1A1MAPTPPARG
SCHEMBL4747314 0.90 PPARA (0.45) PPARAFDPSALDH1A1MAPTPPARG
SCHEMBL8305121 0.86 PPARA (0.53) PPARAFDPSALDH1A1MAPTPPARG
SCHEMBL8787283 0.85 PPARA (0.55) PPARAFDPSALDH1A1MAPTPPARG
SCHEMBL9077595 0.83 TTR (0.57) PPARAFDPSALDH1A1MAPTTDP1
SCHEMBL30644304 0.83 ALDH1A1 (0.69) PPARAALDH1A1MAPTPPARGPPARD
SCHEMBL557409 0.83 ALDH1A1 (0.69) PPARAALDH1A1MAPTPPARGPPARD
SCHEMBL10459163 0.82 CA2 (0.48) PPARAFDPSALDH1A1MAPTPPARD
SCHEMBL20615143 0.82 CALM1 (0.58) PPARAFDPSALDH1A1MAPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012153341-A1 A PROCESS FOR THE PREPARATION OF ILOPERIDONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ARCH PHARMALABS LIMITED (IN) 2012-11-15 WO claimed
WO-2012123963-A3 A PROCESS FOR PREPARATION OF ILOPERIDONE AND AMORPHOUS CO- PRECIPITATE OF ILOPERIDONE WITH PHARMACEUTICALLY ACCEPTABLE EXCIPIENT MEGAFINE PHARMA (P) LTD. (IN) 2013-01-10 WO disclosed
WO-2012153341-A1 A PROCESS FOR THE PREPARATION OF ILOPERIDONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ARCH PHARMALABS LIMITED (IN) 2012-11-15 WO disclosed
WO-2012153341-A1 A PROCESS FOR THE PREPARATION OF ILOPERIDONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ARCH PHARMALABS LIMITED (IN) 2012-11-15 WO disclosed
WO-2012090138-A1 PROCESSES FOR THE PREPARATION OF ILOPERIDONE RANBAXY LABORATORIES LIMITED (IN) 2012-07-05 WO disclosed
WO-2012063269-A2 PROCESS FOR PREPARING ILOPERIDONE CADILA HEALTHCARE LIMITED (IN) 2012-05-18 WO disclosed
WO-2011061750-A2 PROCESS FOR THE PREPARATION OF ILOPERIDONE USING A NOVEL INTERMEDIATE SYMED LABS LIMITED (IN) 2011-05-26 WO disclosed
WO-2011055188-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ILOPERIDONE ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-05-12 WO disclosed
EP-0730452-A4 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST ROUSSEL PHARMA (US) 1997-03-19 EP disclosed
EP-0730452-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST MARION ROUSSEL, Inc. (US) 1996-09-11 EP disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
EP-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 EP disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP disclosed