SCHEMBL8423697

SCHEMBL8423697

O=C(O)C1CCOC(CS(=O)(=O)c2ccc(Oc3ccc(Br)cc3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 13/20 0.43
▸ MMP1 P03956 3/20 0.43
▸ AOC2 O75106 1/20 0.41
▸ MMP9 P14780 12/20 0.40
▸ MMP14 P50281 9/20 0.40
▸ MMP3 P08254 5/20 0.40
▸ MMP8 P22894 5/20 0.40
▸ MMP7 P09237 4/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CXCR4 P61073 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ POLB P06746 1/20 0.37

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
SCHEMBL8425302 0.91 MMP2 (0.50) MMP2MMP1AOC2MMP9MMP14
SCHEMBL8428006 0.83 MMP2 (0.39) MMP2MMP1AOC2MMP9MMP14
SCHEMBL8423692 0.82 MMP2 (0.39) MMP2MMP1AOC2MMP9MMP14
SCHEMBL8424025 0.79 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8426091 0.78 MMP2 (0.47) MMP2MMP1MMP9MMP14MMP3
Hydrochloric Acid SCHEMBL8425471 0.78 MMP1 (0.48) MMP2MMP1MMP9MMP14MMP3
SCHEMBL27530823 0.76 MMP1 (0.44) MMP2MMP1AOC2MMP9MMP14
SCHEMBL14720687 0.72 SMN1; SMN2 (0.42) LMNAALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL5140258 0.71 AOC2 (0.55) AOC2LMNACXCR4ALDH1A1SMN1; SMN2
SCHEMBL1938543 0.70 AOC2 (0.51) AOC2LMNACXCR4ALDH1A1SMN1; SMN2

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-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 — — US disclosed
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