SCHEMBL728576

SCHEMBL728576

C/C=C\c1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 1/20 0.52
GRIK1 P39086 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 3/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA4 P22748 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
HMGB1 P09429 2/20 0.45
HPGD P15428 2/20 0.45
NAPRT Q6XQN6 2/20 0.45

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
SCHEMBL357341 1.00 ALDH1A1 (0.52) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL891695 1.00 ALDH1A1 (0.52) ALDH1A1ALOX15GRIK1GRIA1GRIA2
Acetaldehyde SCHEMBL11678453 0.96 ALDH1A1 (0.48) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL70202 0.87 ALDH1A1 (0.62) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL8902281 0.87 ALDH1A1 (0.62) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL70201 0.87 ALDH1A1 (0.62) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL23226919 0.83 LMNA (0.41) ALDH1A1ALOX15LMNAKDM4ECA12
SCHEMBL27715967 0.83 BCHE (0.39) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL2517175 0.83 ALDH1A1 (0.56) ALDH1A1ALOX15LMNAKDM4ECA12
SCHEMBL9497002 0.82 AKR1C3 (0.52) ALDH1A1MAPTKMT2APOLBAKR1C3

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
JP-4738738-B2 2011-08-03 JP claimed
US-4544767-A HYDROGENATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1985-10-01 US claimed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
US-4544767-A HYDROGENATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1985-10-01 US disclosed