SCHEMBL11527797

SCHEMBL11527797

O=CC(=O)c1ccc(-c2cc(-c3ccccc3)ccc2C(=O)C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HNF4A P41235 2/20 0.44
▸ ACMSD Q8TDX5 2/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ TRIM24 O15164 1/20 0.43
▸ TRIM33 Q9UPN9 1/20 0.43
▸ EGFR P00533 3/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CHEK2 O96017 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ GPR52 Q9Y2T5 1/20 0.40
▸ DCLRE1A Q6PJP8 1/20 0.40

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
SCHEMBL11528988 1.00 ALDH1A1 (0.52) ALDH1A1MAPK1TDP1HNF4AACMSD
SCHEMBL7075790 0.83 ALDH1A1 (0.74) ALDH1A1MAPK1TDP1CDC25BATM
SCHEMBL11568765 0.80 ACMSD (0.49) ALDH1A1MAPK1TDP1HNF4AACMSD
SCHEMBL11530588 0.80 ACMSD (0.49) ALDH1A1MAPK1TDP1HNF4AACMSD
SCHEMBL11533689 0.79 ALDH1A1 (0.56) ALDH1A1MAPK1TDP1ACMSDCDC25B
SCHEMBL6422025 0.78 ALDH1A1 (0.56) ALDH1A1HNF4AACMSDCDC25BATM
SCHEMBL11536804 0.78 PTPN1 (0.45) ALDH1A1MAPK1TDP1HNF4AACMSD
SCHEMBL11530033 0.78 BCAT2 (0.46) ALDH1A1MAPK1TDP1HNF4ACDC25B
SCHEMBL11530381 0.77 ALDH1A1 (0.64) ALDH1A1MAPK1TDP1CDC25BATM
SCHEMBL27580030 0.77 ALDH1A1 (0.62) ALDH1A1MAPK1TDP1CDC25BATM

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 2 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
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