SCHEMBL9640451

SCHEMBL9640451

[NH]C(=Cc1ccccc1O)C([NH])=Cc1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
TRPA1 O75762 1/20 0.46
CA2 P00918 8/20 0.45
CA12 O43570 7/20 0.45
CA9 Q16790 5/20 0.45
NFKB1 P19838 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
JUN P05412 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CA4 P22748 2/20 0.43
CA1 P00915 1/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL7155158 0.80 TRIM24 (0.39) TRIM24TRIM33TRPA1CA2CA12
SCHEMBL29419973 0.79
SCHEMBL49998 0.79
SCHEMBL6058581 0.78 TRIM24 (0.45) TRIM24TRIM33TRPA1CA2CA12
SCHEMBL31345759 0.77 TRIM24 (0.54) TRIM24TRIM33TRPA1CA2CA12
SCHEMBL1471372 0.77 TRIM24 (0.54) TRIM24TRIM33TRPA1CA2CA12
SCHEMBL7172431 0.77 TRIM24 (0.54) TRIM24TRIM33TRPA1CA2CA12
SCHEMBL6035511 0.77 TRIM24 (0.54) TRIM24TRIM33TRPA1CA2CA12
SCHEMBL6152406 0.77 TRIM24 (0.54) TRIM24TRIM33TRPA1CA2CA12
SCHEMBL28990189 0.77 TRIM24 (0.54) TRIM24TRIM33TRPA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308101-B1 PREPARATION OF TERTIARY BUTYL ALCOHOL TEXACO DEVELOPMENT CORPORATION (US) 1992-07-22 EP disclosed
US-4910349-A Catalytic decomposition; using catalyst mixture of metal phthalocyanine and rhenium compound TEXACO INC. (US) 1990-03-20 US disclosed
US-4909965-A Producing quinone and water E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-20 US disclosed
EP-0308101-A1 Preparation of tertiary butyl alcohol TEXACO DEVELOPMENT CORPORATION (US) 1989-03-22 EP disclosed
US-3956473-A Process for oxidizing hydrogen sulfide to sulfur by means of molecular oxygen in the presence of transition metal complexes as catalysts INSTITUT FRANCAIS DU PETROLE, DES CARBURANTS ET LUBRIFIANTS (FR) 1976-05-11 US disclosed