SCHEMBL9971674

SCHEMBL9971674

CCOC(=O)CCc1cc(CC(C)C)c(O)c(CC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.49
CYP4A11 Q02928 3/20 0.49
CYP4Z1 Q86W10 1/20 0.43
ALOX5 P09917 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
KMT2A Q03164 1/20 0.37
APP P05067 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL10015715 0.87 ALOX5 (0.44) CYP4F2CYP4A11ALOX5NFKB1NFKB2
SCHEMBL8137555 0.86 ALOX5 (0.43) ALOX5NFKB1NFKB2RELAGABRA1
SCHEMBL26229210 0.86 ALOX5 (0.43) CYP4F2CYP4A11ALOX5NFKB1NFKB2
SCHEMBL8751252 0.86 ALOX5 (0.40) CYP4F2CYP4A11ALOX5NFKB1NFKB2
SCHEMBL816093 0.85 ALOX5 (0.49) ALOX5NFKB1NFKB2RELAGABRA1
SCHEMBL9971692 0.85 ALOX5 (0.39) CYP4F2CYP4A11CYP4Z1ALOX5NFKB1
SCHEMBL17260593 0.84 DGKA (0.45)
SCHEMBL17260590 0.84 DGKA (0.45)
SCHEMBL17260578 0.84 DGKA (0.45)
SCHEMBL5611419 0.84 DGKA (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470735-B2 Coating solution for heat-sensitive color-developing layer, and heat-sensitive recording material NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2013-06-25 US disclosed
US-8299006-B2 Compressor oil composition NIPPON OIL CORPORATION (JP) 2012-10-30 US disclosed
US-8227388-B2 Hydraulic oil composition NIPPON OIL CORPORATION (JP) 2012-07-24 US disclosed
US-20120157303-A1 COATING SOLUTION FOR HEAT-SENSITIVE COLOR-DEVELOPING LAYER, AND HEAT-SENSITIVE RECORDING MATERIAL API CORPORATION (JP) 2012-06-21 US disclosed
US-20120053094-A1 Hydraulic oil composition NIPPON OIL CORPORATION 2012-03-01 US disclosed
US-20120046205-A1 Compressor oil composition NIPPON OIL CORPORATION 2012-02-23 US disclosed
US-20110286777-A1 LUBRICANT AND IMAGE FORMING APPARATUS AND PROCESS CARTRIDGE USING SAME RICOH COMPANY, LTD. (JP) 2011-11-24 US disclosed
US-4547585-A REACTING A PROPIONIC ACID ESTER WITH PENTAERYTHRITOL IN THE PRESENCE OF A BASIC CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-10-15 US disclosed
EP-0066189-B1 A PROCESS FOR PREPARING TETRAKIS (3-(3,5-DIBUTYL-4-HYDROXYPHENYL)PROPIONYLOXYMETHYL)METHANE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-08-01 EP disclosed
EP-0066189-A1 A process for preparing tetrakis (3-(3,5-dibutyl-4-hydroxyphenyl)propionyloxymethyl)methane MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-12-08 EP disclosed