SCHEMBL27784841

SCHEMBL27784841

C=CC(c1ccc(C)cc1)S(=O)(=O)CP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.42
▸ MMP2 P08253 2/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ MMP8 P22894 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ PGK1 P00558 2/20 0.34
▸ PGK2 P07205 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL27979918 0.75 TLR9 (0.36) CA12MMP2CA9MMP8CA1
SCHEMBL7107937 0.75 TLR9 (0.39) CA12MMP2CA9MMP8CA1
SCHEMBL27815255 0.74 GLA (0.37) LMNANPSR1
SCHEMBL27592268 0.73 TLR9 (0.38) CA12MMP2CA9MMP8CA1
SCHEMBL27784840 0.73 CA12 (0.42) CA12MMP2CA9CA14MMP8
SCHEMBL27918899 0.68 GRIA4 (0.36) CA12MMP2CA9MMP8CA1
SCHEMBL27513087 0.68 LMNA (0.49) CA12CA9LMNAMMP1NPSR1
SCHEMBL18300580 0.67 CA12 (0.49) CA12MMP2CA9CA14MMP8
SCHEMBL16346863 0.66 ALDH1A1 (0.53) CA12MMP2CA9CA14MMP8
SCHEMBL27572608 0.66 CA1 (0.46) CA1LMNAGAA

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
CN-101591281-A Phosphonate compounds having immunomodulatory activity GILEAD SCIENCES INC (US) 2009-12-02 — — CN disclosed
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