SCHEMBL7824832

SCHEMBL7824832

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.60
GABBR1 Q9UBS5 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
CYP3A4 P08684 3/20 0.54
MAPT P10636 3/20 0.54
TSHR P16473 3/20 0.54
BLM P54132 3/20 0.54
KMT2A Q03164 3/20 0.54
HSD17B10 Q99714 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 3/20 0.54
ALDH1A1 P00352 3/20 0.54
RGS12 O14924 2/20 0.54
GMNN O75496 2/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 2/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 2/20 0.54
NFKB1 P19838 2/20 0.54

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
SCHEMBL9580152 0.91 GABBR2 (0.55) GABBR2GABBR1SMN1; SMN2MEN1CYP3A4
SCHEMBL9684949 0.91 GABBR2 (0.55) GABBR2GABBR1SMN1; SMN2MEN1CYP3A4
SCHEMBL11305941 0.85 ALDH1A1 (0.54) GABBR2GABBR1SMN1; SMN2MEN1CYP3A4
SCHEMBL6937644 0.85 GABBR2 (0.60) GABBR2GABBR1SMN1; SMN2MEN1CYP3A4
SCHEMBL9185650 0.85 GABBR2 (0.49) GABBR2GABBR1SMN1; SMN2MEN1CYP3A4
SCHEMBL9185664 0.85 GABBR2 (0.49) GABBR2GABBR1SMN1; SMN2MEN1CYP3A4
SCHEMBL11303376 0.84 GABBR2 (0.58) GABBR2GABBR1SMN1; SMN2MEN1CYP3A4
SCHEMBL11303373 0.84 GABBR2 (0.58) GABBR2GABBR1SMN1; SMN2MEN1CYP3A4
SCHEMBL27632836 0.83 HMGCR (0.52) GABBR2GABBR1SMN1; SMN2MEN1CYP3A4
SCHEMBL27632837 0.83 HMGCR (0.52) GABBR2GABBR1SMN1; SMN2MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101558090-B Methods for preparing polymers from phenolic materials and compositions relating thereto DUPONT ELECTRONIC POLYMERS L P 2011-08-31 CN disclosed
CN-101558090-A Methods for preparing polymers from phenolic materials and compositions relating thereto DUPONT ELECTRONIC POLYMERS L P (US) 2009-10-14 CN disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed