SCHEMBL6937641

SCHEMBL6937641

CC(C)(C)c1cc(/C=C/C(=O)O)c(O)c(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.46
GABBR1 Q9UBS5 2/20 0.46
TNFRSF1A P19438 1/20 0.46
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
RXRA P19793 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
CA4 P22748 2/20 0.39
NFKB1 P19838 1/20 0.39
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
PKM P14618 2/20 0.38
MIF P14174 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MPI P34949 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL10807980 1.00 GABBR2 (0.46) GABBR2GABBR1TNFRSF1AGLRA3GLRB
SCHEMBL28419451 0.87 GABBR2 (0.43) GABBR2GABBR1TNFRSF1AGLRA3GLRB
SCHEMBL11301999 0.84 GABBR2 (0.41) GABBR2GABBR1TNFRSF1AGLRA3GLRB
SCHEMBL10717937 0.83 GABBR2 (0.40) GABBR2GABBR1TNFRSF1AGLRA3GLRB
SCHEMBL699096 0.82 GABBR2 (0.40) GABBR2GABBR1TNFRSF1AGLRA3GLRB
SCHEMBL1615105 0.81 PTGS2 (0.50) GABBR2GABBR1TNFRSF1AGLRA3GLRB
SCHEMBL689068 0.81 PTGS2 (0.50) GABBR2GABBR1TNFRSF1AGLRA3GLRB
SCHEMBL696524 0.80 GABBR2 (0.38) GABBR2GABBR1TNFRSF1AGLRA3GLRB
SCHEMBL4816185 0.78 GAA (0.47) GAAKMT2ATYRESR1ESR2
SCHEMBL698507 0.78 GABBR2 (0.36) GABBR2GABBR1TNFRSF1AGLRA3GLRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0818526-B1 Stabilizers for the prevention of gum formation in gasoline CIBA SC HOLDING AG (CH) 2003-02-12 EP claimed
US-RE32334-E Molding resins E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-01-20 US disclosed