SCHEMBL8428008

SCHEMBL8428008

O=C(O)C1(Oc2ccc(-c3ccsc3)cc2)CCOC(CS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.35
▸ PPARD Q03181 1/20 0.34
▸ MMP1 P03956 2/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ MMP3 P08254 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP14 P50281 2/20 0.32
▸ MMP7 P09237 1/20 0.32
▸ ADAM17 P78536 1/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ KAT6A Q92794 1/20 0.32
▸ P2RX3 P56373 4/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ AOC2 O75106 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ GRIA2 P42262 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2E1 P05181 1/20 0.31

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
SCHEMBL8425305 0.86 MMP1 (0.37) HSD11B1MMP1MMP2MMP3MMP9
SCHEMBL8423694 0.85 PPARG (0.37) HSD11B1MMP1MMP2MMP3MMP9
SCHEMBL8423700 0.83 HSD11B1 (0.37) HSD11B1MMP1MMP2MMP3MMP9
SCHEMBL8426096 0.74 MMP1 (0.38) HSD11B1MMP1MMP2MMP3MMP9
SCHEMBL8428006 0.72 MMP2 (0.39) PPARDMMP1MMP2MMP3MMP9
SCHEMBL7302175 0.67 MMP1 (0.53) MMP1MMP2MMP3MMP9MMP8
SCHEMBL8423725 0.64 HSD17B10 (0.34) HSD11B1ALDH1A1DRD4
SCHEMBL7303000 0.61 MMP1 (0.70) MMP1MMP2MMP3MMP9MMP8
SCHEMBL2766671 0.61 ADAMTS5 (0.72) MMP1ADAM17KAT6AGRIA2CYP2E1
SCHEMBL2766668 0.61 ADAMTS5 (0.72) MMP1ADAM17KAT6AGRIA2CYP2E1

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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