SCHEMBL8098842

SCHEMBL8098842

Cc1ccc2c(c1)C(c1ccc(OCCO)cc1)C(=O)O2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
ABCG2 Q9UNQ0 2/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 3/20 0.37
ALDH2 P05091 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
FFAR1 O14842 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR1I2 O75469 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
SCHEMBL18517054 0.88 GAA (0.60) GAAABCG2ABCB1ABCC1ALDH1A1
SCHEMBL9191296 0.86 GAA (0.64) GAACA12CA1CA9ALDH1A1
SCHEMBL9319431 0.84 GAA (0.62) GAAALDH1A1FFAR1PPARGPPARD
SCHEMBL5605404 0.82 ALDH1A1 (0.44) GAACA12CA1CA9ALDH1A1
SCHEMBL30561156 0.82 ALDH1A1 (0.44) GAACA12CA1CA9ALDH1A1
SCHEMBL13510740 0.82 GAA (0.59) GAACA12CA1CA9ALDH1A1
SCHEMBL13510776 0.82 GAA (0.38) GAAABCG2ABCB1ABCC1CA12
SCHEMBL9319774 0.80 GAA (0.48) GAA
SCHEMBL17009073 0.79 GAA (0.47) GAAABCG2ABCB1ABCC1ALDH1A1
SCHEMBL8705954 0.78 ESR1 (0.47) GAAALDH1A1ALDH2GLAHPGD

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
EP-0591102-B1 3-(2-Acyloxyethoxyphenyl)benzofuran-2-ones as stabilizers CIBA SC HOLDING AG (CH) 2000-10-18 EP disclosed
US-5428162-A For protecting organic materials against thermal, oxidative or light-induced degradation CIBA-GEIGY CORPORATION (US) 1995-06-27 US disclosed
US-5412088-A 6-O-substituted guanosine derivatives RUTGERS, THE STATE UNIVERSITY (US) 1995-05-02 US disclosed
US-5407658-A Analogs of cytochalasin B as radiopharmaceuticals for nuclear imaging of trans-membrane glucose transport THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-18 US disclosed
WO-1994028943-A1 ANALOGS OF CYTOCHALASIN B AS RADIOPHARMACEUTICALS FOR NUCLEAR IMAGING OF TRANS-MEMBRANE GLUCOSE TRANSPORT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-12-22 WO disclosed
US-5342926-A Analogs of cytochalasin B as radiopharmaceuticals for nuclear imaging of trans-membrane glucose transport THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-08-30 US disclosed
EP-0591102-A1 3-(2-Acyloxyethoxyphenyl)benzofuran-2-ones as stabilizers CIBA-GEIGY AG (CH) 1994-04-06 EP disclosed