SCHEMBL8878210

SCHEMBL8878210

C=CC(=O)OC(C)(c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ ALOX5 P09917 3/20 0.40
▸ PTGS2 P35354 3/20 0.40
▸ CA2 P00918 3/20 0.39
▸ CA1 P00915 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NR5A2 O00482 1/20 0.38
▸ NR5A1 Q13285 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GABBR2 O75899 2/20 0.38
▸ GABBR1 Q9UBS5 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ GLRA3 O75311 1/20 0.38
▸ GLRB P48167 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ USP2 O75604 2/20 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
SCHEMBL9576983 0.82 ALOX5 (0.39) ALOX5PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9576772 0.81 NR5A2 (0.41) GAAALOX5PTGS2CA2CA1
SCHEMBL6447854 0.80 MEN1 (0.37) GAAALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL27963741 0.79 GAA (0.38) GAAALOX5PTGS2CA2CA1
SCHEMBL10622475 0.77 CYP3A4 (0.45) GAAALOX5PTGS2CA2CA1
SCHEMBL7168327 0.76 CA2 (0.53) GAACA2CA1ALDH1A1TDP1
SCHEMBL1108013 0.74 RXRA (0.39) —
SCHEMBL35141 0.74 CA2 (0.67) GAACA2CA1ALDH1A1TDP1
SCHEMBL17750808 0.72 ALOX5 (0.46) ALOX5PTGS2CA2CA1ALDH1A1
SCHEMBL9657298 0.72 GAA (0.38) GAAALOX5PTGS2ALDH1A1NR5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243956-B1 ADHESIVE COMPOSITIONS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-12-11 — — EP claimed
US-5602196-A OXIDATION AND HEAT RESISTANCE; PHOTOSTABILITY CIBA-GEIGY CORPORATION (US) 1997-02-11 — — US disclosed
EP-0251724-A2 Compositions containing bisphenol compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-01-07 — — EP disclosed
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