SCHEMBL8425302

SCHEMBL8425302

O=C(O)C1CCOC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 10/20 0.50
▸ MMP9 P14780 8/20 0.50
▸ MMP3 P08254 7/20 0.50
▸ MMP1 P03956 6/20 0.50
▸ MMP14 P50281 6/20 0.50
▸ MMP8 P22894 4/20 0.50
▸ MMP7 P09237 4/20 0.50
▸ ADAM17 P78536 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MMP13 P45452 5/20 0.42
▸ CXCR4 P61073 1/20 0.41
▸ AOC2 O75106 1/20 0.41
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39

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
SCHEMBL8423697 0.91 MMP2 (0.43) MMP2MMP9MMP3MMP1MMP14
SCHEMBL8423692 0.86 MMP2 (0.39) MMP2MMP9MMP3MMP1MMP14
SCHEMBL8428006 0.85 MMP2 (0.39) MMP2MMP9MMP3MMP1MMP14
SCHEMBL8426091 0.80 MMP2 (0.47) MMP2MMP9MMP3MMP1MMP14
SCHEMBL4292169 0.78 MMP2 (0.67) MMP2MMP9MMP3MMP1MMP14
SCHEMBL27530823 0.78 MMP1 (0.44) MMP2MMP9MMP3MMP1MMP14
Hydrochloric Acid SCHEMBL8425471 0.78 MMP1 (0.48) MMP2MMP9MMP3MMP1MMP14
SCHEMBL12020262 0.74 MMP2 (0.69) MMP2MMP9MMP3MMP1MMP14
SCHEMBL6796941 0.69 MMP3 (0.56) MMP2MMP9MMP3MMP1MMP14
SCHEMBL8423721 0.69 ALDH1A1 (0.39) ALDH1A1SMN1; 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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