SCHEMBL5874710

SCHEMBL5874710

CCCCCCCC(=O)O[n+]1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.49
DGKA P23743 1/20 0.48
LMNA P02545 2/20 0.46
GPR84 Q9NQS5 7/20 0.45
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
TSHR P16473 4/20 0.45
PTPN1 P18031 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL5874365 1.00 PAM (0.49) PAMDGKALMNAGPR84PPARG
SCHEMBL10556965 1.00 PAM (0.49) PAMDGKALMNAGPR84PPARG
SCHEMBL5874583 1.00 PAM (0.49) PAMDGKALMNAGPR84PPARG
SCHEMBL11063539 1.00 PAM (0.49) PAMDGKALMNAGPR84PPARG
SCHEMBL5875398 1.00 PAM (0.49) PAMDGKALMNAGPR84PPARG
SCHEMBL5875224 1.00 PAM (0.49) PAMDGKALMNAGPR84PPARG
SCHEMBL5875055 0.98 PAM (0.46) PAMDGKALMNAGPR84PPARG
SCHEMBL5875241 0.91 PPARG (0.54) LMNAPPARGPPARDPPARATSHR
SCHEMBL5875417 0.91 LMNA (0.35) PAMDGKALMNAHDAC11TSHR
SCHEMBL5875252 0.89 TSHR (0.32) PAMDGKALMNATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
EP-0682650-B1 PROCESS FOR MAKING 1,3-DIOLS AND 3-HYDROXYALDEHYDES SHELL INT RESEARCH (NL) 1998-05-20 EP disclosed
EP-0682650-A1 PROCESS FOR MAKING 1,3-DIOLS AND 3-HYDROXYALDEHYDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-11-22 EP disclosed
US-5344993-A Catalytic hydroformylation of epoxides with di-tert-phosphines SHELL OIL COMPANY (US) 1994-09-06 US disclosed
WO-1994018149-A1 PROCESS FOR MAKING 1,3-DIOLS AND 3-HYDROXYALDEHYDES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-08-18 WO disclosed
US-5304686-A Hydroformylating ethylene oxide using ditertiary phosphine modified cobalt carbonyl catalysts; further hydrogenation SHELL OIL COMPANY (US) 1994-04-19 US disclosed
US-5304691-A Hydroformylation og ethylene oxide SHELL OIL COMPANY (US) 1994-04-19 US disclosed
US-5256827-A Process for making 3-hydroxypropanal and 1,3-propanediol SHELL OIL COMPANY (US) 1993-10-26 US disclosed