SCHEMBL10066694

SCHEMBL10066694

CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP14 P50281 2/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ HSD11B1 P28845 2/20 0.43
▸ PKM P14618 1/20 0.42
▸ ELANE P08246 2/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL19382936 1.00 MMP14 (0.48) MMP14MMP2MMP3MMP9NR1H4
SCHEMBL20007864 0.96 PTPN5 (0.46) MMP14MMP2MMP3MMP9NR1H4
SCHEMBL19383057 0.96 MMP14 (0.45) MMP14MMP2MMP3MMP9NR1H4
SCHEMBL24795065 0.96 MMP14 (0.45) MMP14MMP2MMP3MMP9NR1H4
SCHEMBL18407080 0.96 PTPN5 (0.46) MMP14MMP2MMP3MMP9NR1H4
SCHEMBL17146887 0.95 NR1H4 (0.50) MMP14MMP2MMP3MMP9NR1H4
SCHEMBL10000946 0.88 ALDH1A1 (0.57) ALDH1A1MAPTNPC1HPGDMAPK1
SCHEMBL26999139 0.88 ALDH1A1 (0.57) ALDH1A1MAPTNPC1HPGDMAPK1
SCHEMBL23255102 0.87 HTT (0.45) MMP14MMP2MMP3MMP9NR1H4
SCHEMBL24513216 0.85 HTT (0.51) MMP14MMP2MMP3MMP9ALDH1A1

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
US-8178590-B2 Block copolymer and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-15 — — US disclosed
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