SCHEMBL8425305

SCHEMBL8425305

O=C(O)C1(Oc2ccccc2)CCOC(CS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 4/20 0.37
▸ MMP2 P08253 3/20 0.37
▸ MMP3 P08254 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP8 P22894 2/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HSD11B1 P28845 3/20 0.35
▸ AOC2 O75106 1/20 0.35

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
SCHEMBL8423700 0.92 HSD11B1 (0.37) MMP1MMP2MMP3MMP9MMP8
SCHEMBL8423694 0.86 PPARG (0.37) MMP1MMP2MMP3MMP9MMP8
SCHEMBL8428008 0.86 HSD11B1 (0.35) MMP1MMP2MMP3MMP9MMP8
SCHEMBL8426096 0.82 MMP1 (0.38) MMP1MMP2MMP3MMP9MMP8
SCHEMBL8423725 0.70 HSD17B10 (0.34) ALDH1A1RAB9ANPC1HPGDMAPK1
SCHEMBL31117823 0.68 ALDH1A1 (0.43) MMP1MMP2MMP3MMP9MMP8
SCHEMBL28170343 0.68 AOC2 (0.51) ALDH1A1RAB9AKDM4EHPGDTSHR
SCHEMBL27142106 0.68 AKR1C1 (0.41) ALDH1A1KDM4ETP53TSHRMAPK1
SCHEMBL8425302 0.66 MMP2 (0.50) MMP1MMP2MMP3MMP9MMP8
SCHEMBL4292169 0.66 MMP2 (0.67) MMP1MMP2MMP3MMP9MMP8

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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