SCHEMBL17654935

SCHEMBL17654935

COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(P(=O)(c8ccccc8)c8ccc(C(C)(C)C)cc8)cc7S(=O)(=O)O)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 9/20 0.41
▸ MMP9 P14780 9/20 0.41
▸ MMP12 P39900 9/20 0.41
▸ MMP8 P22894 6/20 0.41
▸ MMP13 P45452 6/20 0.41
▸ MMP14 P50281 6/20 0.41
▸ MMP16 P51512 6/20 0.41
▸ MMP3 P08254 4/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ HSD11B1 P28845 1/20 0.39
▸ NR1I2 O75469 5/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PGR P06401 1/20 0.36

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
SCHEMBL15867382 0.84 HTT (0.42) MMP2MMP9MMP12MMP8MMP13
SCHEMBL15867392 0.82 MCL1 (0.39) MMP2MMP9MMP12MMP8MMP13
SCHEMBL12091348 0.82 MMP2 (0.48) MMP2MMP9MMP12MMP8MMP13
SCHEMBL15867379 0.81 HSD11B1 (0.40) MMP2MMP9MMP12MMP8MMP13
SCHEMBL12780764 0.80 PKM (0.51) MMP2MMP9MMP12MMP8MMP13
SCHEMBL11890186 0.79 PPARA (0.39) MMP2MMP9MMP12MMP8MMP13
SCHEMBL13787421 0.78 HTT (0.56) MMP2MMP9MMP12MMP8MMP13
SCHEMBL15867375 0.78 HTT (0.39) MMP2MMP9MMP12MMP8MMP13
SCHEMBL12190621 0.77 PKM (0.50) MMP2MMP9MMP12MMP8MMP13
SCHEMBL22270810 0.77 HTT (0.46) MMP2MMP9MMP12MMP8MMP13

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-9306234-B2 Polymer, a method of preparing the same, composite prepared from the polymer, and electrode and composite membrane each including the polymer or the composite SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-04-05 — — US disclosed
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