SCHEMBL11208884

SCHEMBL11208884

C=CC(=O)Nc1cc(C(C)C)c(O)c(C(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.64
▸ HTT P42858 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TGM2 P21980 7/20 0.47
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ F13A1 P00488 1/20 0.43
▸ TGM1 P22735 1/20 0.43
▸ TGM3 Q08188 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ APP P05067 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL19699681 0.81 TGM2 (0.54) LMNATGM2F13A1TGM1TGM3
SCHEMBL27801542 0.78 TGM2 (0.58) GAALMNATGM2F13A1TGM1
SCHEMBL16053417 0.77 TGM2 (0.64) LMNATGM2F13A1TGM1TGM3
SCHEMBL8177964 0.77 GAA (0.70) GAAHTTLMNACA1CA2
SCHEMBL19699400 0.76 TGM2 (0.49) LMNATGM2F13A1TGM1TGM3
SCHEMBL11802286 0.76 TGM2 (0.47) GAAHTTLMNATGM2CA1
SCHEMBL11521033 0.74 GAA (0.45) GAALMNATGM2F13A1TGM1
Acrylic Acid SCHEMBL30923509 0.74 CA1 (0.50) GAAHTTLMNACA1CA2
SCHEMBL22512392 0.74 GAA (1.00) GAAHTTLMNACA1CA2
SCHEMBL13921963 0.74 TGM2 (0.55) LMNATGM2F13A1TGM1TGM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028999-B1 PROCESS FOR THE PREPARATION OF ANTIOXIDANT AMIDES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-03-23 — — EP disclosed
US-4286105-A AMIDATION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-08-25 — — US disclosed
EP-0028999-A1 Process for the preparation of antioxidant amides THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-05-20 — — EP disclosed
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