SCHEMBL28677409

SCHEMBL28677409

CCCCCCC(O)CCCOOC(=O)C=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
HDAC3 O15379 1/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
APP P05067 3/20 0.41
ALDH1A1 P00352 1/20 0.41
BCHE P06276 4/20 0.41
ACHE P22303 2/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 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
SCHEMBL28489568 0.89 AKR1B10 (0.44) EGFRHDAC3AKR1B10AKR1B1ALDH1A1
SCHEMBL32076 0.89 EGFR (0.55) EGFRHDAC3AKR1B10AKR1B1APP
SCHEMBL32073 0.89 EGFR (0.55) EGFRHDAC3AKR1B10AKR1B1APP
SCHEMBL28811355 0.89 EGFR (0.55) EGFRHDAC3AKR1B10AKR1B1APP
SCHEMBL23702408 0.86 BCHE (0.50) EGFRHDAC3AKR1B10AKR1B1APP
SCHEMBL23702410 0.86 BCHE (0.50) EGFRHDAC3AKR1B10AKR1B1APP
SCHEMBL29070322 0.86 AKR1B10 (0.53) EGFRAKR1B10AKR1B1APPALDH1A1
SCHEMBL5013117 0.82 ALDH1A1 (0.49) HDAC3AKR1B10AKR1B1ALDH1A1LMNA
SCHEMBL5013109 0.82 ALDH1A1 (0.49) HDAC3AKR1B10AKR1B1ALDH1A1LMNA
3-Octanol SCHEMBL28795848 0.82 EGFR (0.45) EGFRHDAC3AKR1B10AKR1B1ALDH1A1

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-110408159-B Composition for forming cured film, alignment material, and phase difference material 日产化学工业株式会社 2022-02-08 CN disclosed