SCHEMBL29008552

SCHEMBL29008552

O=C(CCCCCCCCC(=O)OC=Cc1ccccc1)OC=Cc1ccccc1.OCCCCCCCCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.43
HDAC3 O15379 4/20 0.40
HDAC4 P56524 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC11 Q96DB2 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC9 Q9UKV0 4/20 0.40
HDAC5 Q9UQL6 4/20 0.40
ALDH1A1 P00352 2/20 0.39
PAM P19021 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
TNKS O95271 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL27713065 0.94 PPARA (0.42) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL29008553 0.94 PPARA (0.47) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL3869859 0.92 PPARA (0.49) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL3869856 0.92 PPARA (0.49) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL3869348 0.89 EGFR (0.46) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL3869350 0.89 EGFR (0.46) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL27507740 0.87 ALDH1A1 (0.43) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7745659 0.86 EGFR (0.50) HDAC3PAMEGFRLMNARECQL
SCHEMBL9746295 0.86 EGFR (0.50) HDAC3PAMEGFRLMNARECQL
SCHEMBL11407662 0.85 EGFR (0.49) HDAC3ALDH1A1PAMEGFRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110989303-B Magnetic toner 佳能株式会社 2023-06-02 CN disclosed