SCHEMBL13652120

SCHEMBL13652120

CC(O)c1ccc2c(c1)/C(=C\C(=O)O)C(=O)N2Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 6/20 0.68
▸ CDC25A P30304 9/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ ALDH2 P05091 2/20 0.43
▸ ALDH3A1 P30838 2/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PRKAB1 Q9Y478 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
SCHEMBL12930306 0.83 TRPA1 (0.74) TRPA1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL1061089 0.81 TRPA1 (1.00) TRPA1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL1061091 0.81 TRPA1 (1.00) TRPA1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL12930285 0.81 TRPA1 (0.69) TRPA1CDC25A
SCHEMBL1061471 0.80 TRPA1 (0.72) TRPA1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL1061470 0.80 TRPA1 (0.72) TRPA1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL12930177 0.74 TRPA1 (0.61) TRPA1CDC25A
SCHEMBL29033840 0.73 TRPA1 (0.66) TRPA1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL29033842 0.73 TRPA1 (0.66) TRPA1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL12930348 0.72 TRPA1 (0.61) TRPA1CDC25AALDH1A1ALDH2ALDH3A1

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
WO-2009123080-A1 INDOLINONE COMPOUND アステラス製薬株式会社 (JP) 2009-10-08 — — WO disclosed
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