SCHEMBL17366594

SCHEMBL17366594

C=CCOCC(O)COCC(COc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)OCC(O)COCC(O)CC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ CA1 P00915 7/20 0.39
▸ CA2 P00918 7/20 0.39
▸ CA7 P43166 7/20 0.39
▸ CA9 Q16790 7/20 0.39
▸ CA4 P22748 6/20 0.39
▸ PKM P14618 3/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MMP1 P03956 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL17366597 0.88 TSHR (0.43) ALDH1A1GAACA1CA2CA7
SCHEMBL17367899 0.81 CA1 (0.43) ALDH1A1GAACA1CA2CA7
SCHEMBL17366440 0.76 CA1 (0.32) CA1CA2CA7CA9CA4
SCHEMBL17366439 0.75 CYP2C9 (0.39) ALDH1A1GAACA1CA2CA7
SCHEMBL9889752 0.74 HSD11B1 (0.52) ALDH1A1GAACA1CA2CA7
SCHEMBL19223010 0.73 AR (0.38) ALDH1A1GAACA1CA2CA7
SCHEMBL17370919 0.73 CA1 (0.37) ALDH1A1GAACA1CA2CA7
SCHEMBL24494610 0.73 LMNA (0.42) CA1CA2CA7CA9CA4
SCHEMBL9421434 0.73 CA1 (0.55) ALDH1A1GAACA1CA2CA7
SCHEMBL12793819 0.72 PKM (0.63) ALDH1A1GAACA1CA2CA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2985071-A1 CROSSLINKED CELLULOSIC MEMBRANES Pall Corporation (US) 2016-02-17 — — EP disclosed
US-20150375177-A1 CROSSLINKED CELLULOSIC MEMBRANES PALL CORPORATION 2015-12-31 — — US disclosed
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