SCHEMBL8567993

SCHEMBL8567993

CC(C)(C)c1cc(C=CC(=O)NNC(=O)C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 2/20 0.66
▸ GABBR1 Q9UBS5 2/20 0.66
▸ PTGS1 P23219 4/20 0.51
▸ PTGS2 P35354 4/20 0.51
▸ TNFRSF1A P19438 1/20 0.51
▸ MAOA P21397 4/20 0.49
▸ MAOB P27338 4/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HTT P42858 1/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.47
▸ ACHE P22303 2/20 0.46
▸ BCHE P06276 1/20 0.46
▸ ALOX5 P09917 2/20 0.46
▸ EEF2K O00418 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL11059147 1.00 GABBR2 (0.66) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL9182631 0.89 GABBR2 (0.54) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL8338249 0.87 GABBR2 (0.62) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL8338252 0.87 GABBR2 (0.62) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL11707324 0.85 GABBR2 (0.60) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL4450576 0.84 GABBR2 (0.68) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL4450572 0.84 GABBR2 (0.68) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL9657108 0.84 GABBR2 (0.72) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL14529796 0.84 MMP1 (0.63) GABBR2GABBR1MAOA
SCHEMBL13407150 0.82 GABBR2 (0.54) GABBR2GABBR1PTGS1PTGS2TNFRSF1A

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
US-4455204-A ADHESIVES RAYCHEM CORPORATION (US) 1984-06-19 — — US claimed
EP-3762441-B1 POLYURETHANE FOAMS BASED ON POLYETHER CARBONATE POLYOLS COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2022-04-13 — — EP disclosed
US-20200399466-A1 POLYURETHANE FOAMS BASED ON POLYETHERCARBONATE POLYOLS COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2020-12-24 — — US disclosed
US-5795927-A BLEND CONTAINING COLOR STABILIZER MORTON INTERNATIONAL, INC. (US) 1998-08-18 — — US disclosed
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