SCHEMBL7794931

SCHEMBL7794931

COc1ccc(CC(=O)O)cc1C(C)(C)CC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
CA5A P35218 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PTGS1 P23219 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR1H4 Q96RI1 2/20 0.45
NR3C1 P04150 6/20 0.43
SELL P14151 1/20 0.43
SELP P16109 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FABP4 P15090 2/20 0.43
NR3C2 P08235 2/20 0.42

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
SCHEMBL7796102 0.87 GAA (0.59) GAACA5AALDH1A1TSHRNFKB1
SCHEMBL7792671 0.86 FFAR1 (0.47) NR3C1FABP4
SCHEMBL7796119 0.85 GAA (0.64) GAACA5AALDH1A1TSHRNFKB1
SCHEMBL7794933 0.84 GAA (0.52) GAACA5AALDH1A1TSHRNFKB1
SCHEMBL7796462 0.81 HPGD (0.54) GAACA5AALDH1A1TSHRNFKB1
SCHEMBL2127169 0.81 GAA (0.62) GAACA5AALDH1A1TSHRNFKB1
SCHEMBL7792652 0.79 CA12 (0.56) GAAALDH1A1TSHRNPSR1
SCHEMBL6567361 0.79 NR3C1 (0.44) TSHRNFKB1NR3C1NR3C2
SCHEMBL6567742 0.78 TNKS2 (0.45) NR3C1NR3C2
SCHEMBL7786485 0.77 NR1H4 (0.43) GAACA5AALDH1A1TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed