SCHEMBL11042199

SCHEMBL11042199

CCCCCCCCCc1ccccc1OP(O)OCC(CC)CCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CA2 P00918 1/20 0.42
CYP3A4 P08684 1/20 0.42
LIPG Q9Y5X9 1/20 0.40
LMNA P02545 2/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
PPARA Q07869 2/20 0.38
ADRB2 P07550 4/20 0.37
ADRB1 P08588 4/20 0.37
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
PPARG P37231 1/20 0.37
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 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
SCHEMBL9382266 1.00 THRA (0.45) THRATHRBPRSS1PRSS2PRSS3
SCHEMBL10943807 0.90 PTGS2 (0.40) THRATHRBPRSS1PRSS2PRSS3
SCHEMBL5530602 0.89 THRA (0.45) THRATHRBPRSS1PRSS2PRSS3
SCHEMBL9070058 0.89 THRA (0.45) THRATHRBPRSS1PRSS2PRSS3
SCHEMBL3031121 0.84 THRA (0.48) THRATHRBLIPGALOX5PTGS2
SCHEMBL9380832 0.82 PRSS1 (0.40) THRATHRBPRSS1PRSS2PRSS3
SCHEMBL8433693 0.82 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL28376630 0.82 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL29778064 0.82 THRA (0.58) THRATHRBLIPGALOX5PTGS2
SCHEMBL8372832 0.82 THRA (0.58) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106380729-B Novel PVC heat stabilizer 邵卫东 2019-01-29 CN disclosed
CN-106380729-A Novel PVC heat stablizer 邵卫东 2017-02-08 CN disclosed
US-4456668-A DYE BLEACH, TEXTILE DYES CIBA GEIGY AG (CH) 1984-06-26 US disclosed
US-4409143-A TEXTILES, PHOTOGRAPHY CIBA-GEIGY AG (CH) 1983-10-11 US disclosed
US-4298520-A PHOSPHITES OR PHOSPHATES ARGUS CHEMICAL CORP. (US) 1981-11-03 US disclosed
US-4293472-A O-ALKYLHYDROXYBENZYLPROPANE-1,3-DIOL ESTERS CONTAINING SULFIDE GROUPS ADEKA ARGUS CHEMICAL CO., LTD. 1981-10-06 US disclosed
US-4171298-A SUBSTITUTED ORTHO-ALKYLHYDROXYBENZYLPROPANE-1,3-DIOL ESTERS ARGUS CHEMICAL CORPORATION (US) 1979-10-16 US disclosed