SCHEMBL11318945

SCHEMBL11318945

CC(C)(C)c1cc(C=CC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 2/20 0.57
▸ GABBR1 Q9UBS5 2/20 0.57
▸ GAA P10253 4/20 0.55
▸ KMT2A Q03164 4/20 0.51
▸ ALOX5 P09917 1/20 0.50
▸ MEN1 O00255 3/20 0.46
▸ TNFRSF1A P19438 1/20 0.46
▸ PTGS1 P23219 2/20 0.45
▸ PTGS2 P35354 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HIF1A Q16665 1/20 0.45

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
SCHEMBL4450576 0.84 GABBR2 (0.68) GABBR2GABBR1GAAALOX5TNFRSF1A
SCHEMBL4450572 0.84 GABBR2 (0.68) GABBR2GABBR1GAAALOX5TNFRSF1A
SCHEMBL10031552 0.81 GABBR2 (0.64) GABBR2GABBR1ALOX5TNFRSF1APTGS1
SCHEMBL10427697 0.79 GABBR2 (0.47) GABBR2GABBR1GAAKMT2AALOX5
SCHEMBL10427698 0.79 GABBR2 (0.47) GABBR2GABBR1GAAKMT2AALOX5
SCHEMBL9219345 0.78 GABBR2 (0.63) GABBR2GABBR1GAAALOX5TNFRSF1A
SCHEMBL9219350 0.78 GABBR2 (0.63) GABBR2GABBR1GAAALOX5TNFRSF1A
SCHEMBL11520659 0.77 GAA (0.68) GABBR2GABBR1GAAKMT2AMEN1
SCHEMBL9657108 0.77 GABBR2 (0.72) GABBR2GABBR1ALOX5TNFRSF1APTGS1
SCHEMBL27082259 0.77 GAA (0.61) GABBR2GABBR1GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4298520-A PHOSPHITES OR PHOSPHATES ARGUS CHEMICAL CORP. (US) 1981-11-03 — — US disclosed
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