SCHEMBL9617955

SCHEMBL9617955

[O]OC(=O)Cc1c(CC(=O)O)cccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 9/20 0.55
▸ MMP12 P39900 8/20 0.55
▸ MMP13 P45452 8/20 0.55
▸ MMP14 P50281 8/20 0.55
▸ MMP9 P14780 7/20 0.55
▸ MMP1 P03956 6/20 0.55
▸ MMP3 P08254 6/20 0.55
▸ MMP8 P22894 5/20 0.55
▸ MMP16 P51512 5/20 0.55
▸ PTGDR2 Q9Y5Y4 11/20 0.46
▸ ALB P02768 1/20 0.44

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
SCHEMBL4022064 0.76 MMP2 (0.61) MMP2MMP12MMP13MMP14MMP9
SCHEMBL11094199 0.76 MMP2 (0.61) MMP2MMP12MMP13MMP14MMP9
SCHEMBL13401706 0.73 MMP2 (0.75) MMP2MMP12MMP13MMP14MMP9
SCHEMBL8363032 0.70 MMP2 (0.85) MMP2MMP12MMP13MMP14MMP9
SCHEMBL10777232 0.70 CYP2D6 (0.49) MMP2MMP12MMP13MMP14MMP9
SCHEMBL11089149 0.69 MMP2 (0.56) MMP2MMP12MMP13MMP14MMP9
SCHEMBL8600785 0.68 HTR6 (0.47) MMP2MMP12MMP13MMP14MMP9
SCHEMBL8228874 0.67 MMP2 (1.00) MMP2MMP12MMP13MMP14MMP9
SCHEMBL8228783 0.67 MMP2 (1.00) MMP2MMP12MMP13MMP14MMP9
SCHEMBL1873283 0.66 AKR1B1 (0.60) ALB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4272922-A — — None — — JP disclosed
JP-H04272922-A POLYESTER AND POLYESTER FOR PACKAGING MATERIAL MITSUBISHI KASEI CORP 1992-09-29 — — JP disclosed
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