SCHEMBL9807633

SCHEMBL9807633

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.69
TDP1 Q9NUW8 3/20 0.69
ALDH1A1 P00352 2/20 0.69
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 3/20 0.42
TYR P14679 1/20 0.42
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 1/20 0.40
GALR3 O60755 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RECQL P46063 2/20 0.39
BLM P54132 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL11522501 0.90 GAA (0.56) GAATDP1ALDH1A1CA2CA1
SCHEMBL11520610 0.89 GAA (0.55) GAATDP1ALDH1A1CA2CA1
SCHEMBL11518677 0.87 GAA (0.54) GAATDP1ALDH1A1CA2CA1
SCHEMBL11519989 0.85 GAA (0.51) GAATDP1ALDH1A1CA2CA1
SCHEMBL11520550 0.84 GAA (0.49) GAATDP1ALDH1A1RXFP1POLB
SCHEMBL11520930 0.84 GAA (0.49) GAATDP1ALDH1A1RXFP1POLB
SCHEMBL11519609 0.83 GAA (0.47) GAATDP1ALDH1A1RXFP1POLB
SCHEMBL9812317 0.82 GAA (0.68) GAATDP1ALDH1A1CA2CA1
SCHEMBL2276660 0.82 GAA (1.00) GAATDP1ALDH1A1CA2CA1
SCHEMBL22281120 0.82 ALDH1A1 (0.67) GAATDP1ALDH1A1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990671-A Method for making aminophenols and their amide derivatives MALLINCKRODT, INC. (US) 1991-02-05 US disclosed
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
US-4281080-A TACKIFIERS FOR RUBBERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-07-28 US disclosed
EP-0028999-A1 Process for the preparation of antioxidant amides THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-05-20 EP disclosed
US-4173574-A 3,5-Ditertiary alkyl-4-hydroxyphenyl (alkyl) 6-acyloxy-4-thia hexanoates and hexenamides as antioxidants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-11-06 US disclosed
US-4152319-A ALPHA, BETA-UNSATURATED AMIDES HAVING STERICALLY HINDERED PHENOLIC GROUP THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-05-01 US disclosed
US-4093591-A FOR NATURAL RUBBER AND HOMO- AND COPOLYMERS OF MONO- AND DIOLEFINS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-06-06 US disclosed
US-4010140-A Age resistant resin compositions and admixtures useful as adhesives THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-03-01 US disclosed