SCHEMBL19712331

SCHEMBL19712331

O=C1[CH]CN1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ TSHR P16473 2/20 0.42
▸ KCNA5 P22460 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ IDO1 P14902 1/20 0.38

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
SCHEMBL23884962 0.80 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL13386604 0.79 ALDH1A1 (0.55) ALDH1A1TSHRKCNA5ALOX15IDO1
SCHEMBL1934716 0.74 ALDH1A1 (0.50) ALDH1A1TSHRKCNA5
SCHEMBL9781910 0.71 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL6947156 0.71 CASP1 (0.53) ALDH1A1TSHR
SCHEMBL5225296 0.71 MGLL (0.50) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL14028930 0.70 ALDH1A1 (0.50) ALDH1A1TSHRKCNA5MEN1KMT2A
SCHEMBL14028941 0.70 ALDH1A1 (0.50) ALDH1A1TSHRKCNA5MEN1KMT2A
SCHEMBL9506098 0.70 L3MBTL1 (0.53) ALDH1A1TSHRMAPT
SCHEMBL14028937 0.70 ALDH1A1 (0.50) ALDH1A1TSHRKCNA5MEN1KMT2A

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
EP-2748155-B1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-20 — — EP disclosed
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