SCHEMBL5388802

SCHEMBL5388802

CCCCCCCCCc1ccc(OP(O)O)c(CC(CC)CCCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
APAF1 O14727 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
HSPD1 P10809 1/20 0.37
ADRB3 P13945 1/20 0.37
TACR2 P21452 1/20 0.37

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
SCHEMBL28354766 0.84 HTT (0.49) PPARAPPARGAPAF1MAPTTHRB
SCHEMBL9239878 0.84 HTT (0.49) PPARAPPARGAPAF1MAPTTHRB
SCHEMBL28739184 0.83 PPARA (0.48) PPARAPPARGKDM4EALDH1A1LMNA
SCHEMBL3563835 0.82 PRSS1 (0.33) MAPTMAPK1HTTALDH1A1LMNA
SCHEMBL7546263 0.82 PRSS1 (0.33) MAPTMAPK1HTTALDH1A1LMNA
SCHEMBL10778814 0.81 S1PR1 (0.46) PPARAPPARG
SCHEMBL3673431 0.81 S1PR1 (0.46) PPARAPPARG
SCHEMBL31697558 0.81 S1PR1 (0.46) PPARAPPARG
SCHEMBL17541053 0.81 PPARA (0.39) PPARAPPARGAPAF1MAPTTHRB
SCHEMBL5051049 0.80 PPARG (0.35) PPARAPPARGMAPK1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294680-B2 Method of producing conjugated diene polymers with narrow molecular weight distribution and polymer produced JSR CORPORATION (JP) 2007-11-13 US disclosed
EP-1099711-B1 Modified conjugated diene polymer, method of producing it and rubber composition comprising the same JSR CORP (JP) 2006-03-29 EP disclosed
EP-1099710-B1 Modified conjugated diene polymer and rubber composition comprising it JSR CORP (JP) 2005-01-19 EP disclosed
US-6838526-B1 Modified conjugated diene polymer and method of producing the same and rubber composition JSR CORPORATION (JP) 2005-01-04 US disclosed
EP-1026181-B1 Method of producing conjugated diene polymer JSR CORP (JP) 2004-11-24 EP disclosed
US-20040147694-A1 Method of producing conjugated diene polymers with narrow molecular weight distribution and polymer produced JSR CORPORATION 2004-07-29 US disclosed
US-6747085-B2 CIS-1,4-BOND OF >/= 85%, A 1,2-VINYL BOND </= 2%, A RATIO OF WEIGHT AVERAGE MOLECULAR WEIGHT TO NUMBER AVERAGE MOLECULAR WEIGHT OF </= 5 AND HAS >/= 1 EPOXY AND HYDROXYL GROUP JSR CORPORATION (JP) 2004-06-08 US disclosed
EP-0957115-B1 Method for producing conjugated diene polymers JSR CORP (JP) 2003-12-03 EP disclosed
US-20030065083-A1 Conjugated diene polymer and rubber composition JSR CORPORATION 2003-04-03 US disclosed
US-6391990-B1 Method of producing conjugated diene polymer JSR CORPORATION (JP) 2002-05-21 US disclosed
US-6255416-B1 POLYMERIZING CONJUGATED DIENE COMPOUND WITH CATALYST CONSISTING ESSENTIALLY OF COMPOUND CONTAINING RARE EARTH ELEMENT, ALUMOXANE, ORGANOALUMINUM COMPOUND, REACTION PRODUCT OF METAL HALIDE AND LEWIS BASE JSR CORPORATION (JP) 2001-07-03 US disclosed
EP-1099711-A2 Modified conjugated diene polymer, method of producing it and rubber composition comprising the same JSR Corporation (JP) 2001-05-16 EP disclosed
EP-1099710-A1 Modified conjugated diene polymer and rubber composition comprising it JSR Corporation (JP) 2001-05-16 EP disclosed
EP-1026181-A1 Method of producing conjugated diene polymer JSR Corporation (JP) 2000-08-09 EP disclosed
EP-0957115-A1 Method for producing conjugated diene polymers JSR Corporation (JP) 1999-11-17 EP disclosed
EP-0863165-A1 Method of producing conjugated diene polymers JSR Corporation (JP) 1998-09-09 EP disclosed