SCHEMBL21797168

SCHEMBL21797168

C/C(CC(C)C)=N\NC(=O)c1ccc(O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 7/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ RAB9A P51151 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ GFER P55789 1/20 0.50
▸ STAT3 P40763 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MTOR P42345 1/20 0.46
▸ HPGD P15428 2/20 0.44
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA7 P43166 2/20 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
SCHEMBL21797169 1.00 GAA (0.55) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL21797187 0.89 GAA (0.47) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL21797189 0.89 GAA (0.47) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL21433602 0.88 GAA (0.47) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL21433603 0.88 GAA (0.47) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL12010974 0.86 GAA (0.45) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL30240785 0.83 GAA (0.68) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL1843216 0.83 GAA (0.68) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL5705557 0.83 GAA (0.68) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL1843219 0.83 GAA (0.68) GAAMEN1KMT2ARAB9AALDH1A1

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
US-11306201-B2 Rubber composition for tires and tire BRIDGESTONE CORPORATION (JP) 2022-04-19 — — US disclosed
EP-3626773-B1 RUBBER COMPOSITION FOR TIRE, AND TIRE BRIDGESTONE CORP (JP) 2021-12-08 — — EP disclosed
US-20200283613-A1 RUBBER COMPOSITION FOR TIRES AND TIRE BRIDGESTONE CORPORATION (JP) 2020-09-10 — — US disclosed
EP-3626773-A1 RUBBER COMPOSITION FOR TIRE, AND TIRE Bridgestone Corporation (JP) 2020-03-25 — — EP disclosed
US-20200079933-A1 RUBBER COMPOSITION FOR TIRE, AND TIRE BRIDGESTONE CORPORATION (JP) 2020-03-12 — — US disclosed
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