SCHEMBL21797189

SCHEMBL21797189

CC(CC(C)C)=NNC(=O)c1cc(O)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 10/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KMT2A Q03164 7/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ MAPT P10636 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ HTT P42858 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MCL1 Q07820 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ POLB P06746 4/20 0.45
▸ CASP6 P55212 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ NAAA Q02083 1/20 0.44
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 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
SCHEMBL21797187 1.00 GAA (0.47) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL21797168 0.89 GAA (0.55) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL21797169 0.89 GAA (0.55) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL1843216 0.83 GAA (0.68) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL30240785 0.83 GAA (0.68) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL5705557 0.83 GAA (0.68) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL1843219 0.83 GAA (0.68) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL5705625 0.81 MEN1 (0.62) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL1278353 0.81 MEN1 (0.62) GAASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL1278351 0.81 MEN1 (0.62) GAASMN1; SMN2RAB9AKMT2AMEN1

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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