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SCHEMBL5201344

SCHEMBL5201344

Cc1ccc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C.Cc1cccc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)c1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ GABBR2 O75899 1/20 0.32
▸ GABBR1 Q9UBS5 1/20 0.32
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30

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
SCHEMBL29413922 0.91 ALDH1A1 (0.39) ALDH1A1GABBR2GABBR1HTR2AHTR2C
SCHEMBL39085 0.91 ALDH1A1 (0.39) ALDH1A1GABBR2GABBR1HTR2AHTR2C
SCHEMBL29793316 0.91 ALDH1A1 (0.39) ALDH1A1GABBR2GABBR1HTR2AHTR2C
SCHEMBL39132 0.90 GABBR2 (0.38) ALDH1A1GABBR2GABBR1HTR2AHTR2C
SCHEMBL29380744 0.90 GABBR2 (0.38) ALDH1A1GABBR2GABBR1HTR2AHTR2C
SCHEMBL2612422 0.85 GABBR2 (0.38) ALDH1A1GABBR2GABBR1
SCHEMBL21931404 0.84 GABBR2 (0.36) GABBR2GABBR1
SCHEMBL15964024 0.82 ALDH1A1 (0.45) ALDH1A1GABBR2GABBR1HTR2AHTR2C
SCHEMBL9885965 0.82 POLB (0.35) ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL13891723 0.81 HTR2C (0.36) ALDH1A1HTR2AHTR2CHTR2B

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
EP-1786859-A2 STABILIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2007-05-23 — — EP disclosed
WO-2006024610-A2 STABILIZATION OF ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-03-09 — — WO disclosed