SCHEMBL4709952

SCHEMBL4709952

CCCCCCCCCc1ccccc1OP(OCCCCCCCC(C)C)OCCCCCCCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
LIPG Q9Y5X9 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
PPARA Q07869 2/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
ADRB2 P07550 4/20 0.36
ADRB1 P08588 4/20 0.36
PPARG P37231 3/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL3828938 1.00 THRA (0.45) THRATHRBLIPGALOX5PTGS2
SCHEMBL6272974 0.97 THRA (0.45) THRATHRBLIPGALOX5PTGS2
SCHEMBL9008326 0.97 THRA (0.45) THRATHRBLIPGALOX5PTGS2
SCHEMBL5081708 0.91 THRA (0.52) THRATHRBLIPGALOX5PTGS2
SCHEMBL6464139 0.91 THRA (0.52) THRATHRBLIPGALOX5PTGS2
SCHEMBL29065637 0.91 THRA (0.52) THRATHRBLIPGALOX5PTGS2
SCHEMBL6855763 0.91 THRA (0.52) THRATHRBLIPGALOX5PTGS2
SCHEMBL6271735 0.90 LTB4R (0.39) THRATHRBLIPGALOX5PTGS2
SCHEMBL9380071 0.89 THRA (0.39) THRATHRBLIPGALOX5PTGS2
SCHEMBL6273157 0.88 LTB4R (0.39) THRATHRBLIPGALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470735-B2 Phenol-free phosphites DOVER CHEMICAL CORPORATION (US) 2008-12-30 US claimed
US-5290747-A Nylon 6 catalyst system INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1994-03-01 US claimed
WO-2005113665-A2 PHENOL-FREE PHOSPHITES DOVER CHEMICAL CORPORATION (US) 2005-12-01 WO disclosed
US-5298598-A Preparation of polyamide with mixture of phosphorus catalysts INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1994-03-29 US disclosed
US-5298594-A Charging caprolactam, water and alkali metal hypophosphite catalyst, purging air, heating to form prepolymer, charging prepolymer with cocatalyst, heating by raising temperature CHINESE PETROCHEMICAL DEVELOPMENT CORP. (TW) 1994-03-29 US disclosed
US-5290747-A Nylon 6 catalyst system INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1994-03-01 US disclosed