SCHEMBL8459979

SCHEMBL8459979

CC(C)(C)c1cc(CNc2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GSR P00390 2/20 0.47
▸ GAA P10253 4/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ PLEC Q15149 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ EPHX2 P34913 3/20 0.44
▸ NR1H4 Q96RI1 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ HIF1A Q16665 1/20 0.43

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
SCHEMBL29015812 0.83 GSR (0.53) ALDH1A1GSRGAAMEN1KMT2A
SCHEMBL11247269 0.83 MAPT (0.57) CA1CA2ALDH1A1GAAMEN1
SCHEMBL17296531 0.82 CA1 (0.56) CA1CA2ALDH1A1GAAMEN1
SCHEMBL14493851 0.81 GAA (0.50) ALDH1A1GSRGAAMEN1KMT2A
SCHEMBL784941 0.81 GAA (0.50) ALDH1A1GSRGAAMEN1KMT2A
SCHEMBL784945 0.81 GAA (0.50) ALDH1A1GSRGAAMEN1KMT2A
SCHEMBL784975 0.81 GAA (0.50) ALDH1A1GSRGAAMEN1KMT2A
SCHEMBL6845226 0.81 GSR (0.50) CA1CA2ALDH1A1GSRGAA
SCHEMBL16104894 0.80 GSR (0.59) CA1CA2ALDH1A1GSRGAA
SCHEMBL8971750 0.79 GAA (0.51) ALDH1A1GAAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 — — WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 — — EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 — — WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 — — US disclosed
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