SCHEMBL11533689

SCHEMBL11533689

O=CC(=O)c1ccc(-c2cccc(-c3ccc(C(=O)C=O)cc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ TRIM24 O15164 1/20 0.53
▸ TRIM33 Q9UPN9 1/20 0.53
▸ KMO O15229 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RELA Q04206 1/20 0.45
▸ EGFR P00533 1/20 0.44
▸ RXRA P19793 2/20 0.43
▸ RXRB P28702 2/20 0.43
▸ RXRG P48443 1/20 0.43
▸ BCL2 P10415 1/20 0.43
▸ ACMSD Q8TDX5 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RARA P10276 1/20 0.41
▸ RARB P10826 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
SCHEMBL27580030 0.94 ALDH1A1 (0.62) ALDH1A1MAPK1TDP1TRIM24TRIM33
SCHEMBL7075790 0.87 ALDH1A1 (0.74) ALDH1A1MAPK1TDP1TRIM24TRIM33
Xenygloxal SCHEMBL2110325 0.87 ALDH1A1 (0.64) ALDH1A1MAPK1TDP1TRIM24TRIM33
SCHEMBL11530261 0.87 ALDH1A1 (0.64) ALDH1A1MAPK1TDP1TRIM24TRIM33
SCHEMBL28779665 0.85 ALDH1A1 (0.58) ALDH1A1MAPK1TDP1TRIM24TRIM33
Xenygloxal SCHEMBL11410527 0.84 ALDH1A1 (0.61) ALDH1A1MAPK1TDP1TRIM24TRIM33
Xenygloxal SCHEMBL11411015 0.84 ALDH1A1 (0.61) ALDH1A1MAPK1TDP1TRIM24TRIM33
SCHEMBL27998334 0.82 TDP1 (0.65) ALDH1A1MAPK1TDP1TRIM24TRIM33
SCHEMBL11528988 0.79 ALDH1A1 (0.52) ALDH1A1MAPK1TDP1TRIM24TRIM33
SCHEMBL11527797 0.79 ALDH1A1 (0.52) ALDH1A1MAPK1TDP1TRIM24TRIM33

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
US-4147728-A Disubstituted meta-terphenyl compounds and resulting polymers INSTITUT FRANCAIS DU PETROLE (FR) 1979-04-03 — — US disclosed
US-4064176-A Di-substituted meta-terphenyl compounds and resulting polymers INSTITUT FRANCAIS DU PETROLE (FR) 1977-12-20 — — US disclosed
US-4045414-A New di-substituted meta-terphenyl compounds and resulting polymers INSTITUT FRANCAIS DU PETROLE (FR) 1977-08-30 — — US disclosed
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