SCHEMBL11089042

SCHEMBL11089042

CCOC(=O)Cc1cccc(S(=O)(=O)c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.44
MMP12 P39900 7/20 0.44
MMP13 P45452 7/20 0.44
MMP14 P50281 7/20 0.44
MMP8 P22894 6/20 0.44
MMP16 P51512 6/20 0.44
KMT2A Q03164 3/20 0.44
MMP9 P14780 6/20 0.42
MMP1 P03956 5/20 0.42
MMP3 P08254 5/20 0.42
MEN1 O00255 1/20 0.41
HSD11B1 P28845 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADAM17 P78536 1/20 0.40
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 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
SCHEMBL21438038 0.79 ALDH1A1 (0.51) KMT2AMEN1HPGDRAB9AMAPK1
SCHEMBL12053317 0.77 GPR35 (0.45) KMT2AMEN1MAPK1ALDH1A1TDP1
SCHEMBL11092358 0.76 ALDH1A1 (0.49) KMT2AMEN1RAB9AMAPK1ALDH1A1
SCHEMBL4296586 0.76 NLRP3 (0.47) KMT2AMEN1HPGDRAB9AGAA
SCHEMBL11320759 0.76 MEN1 (0.43) KMT2AMEN1HPGDGAAMAPK1
SCHEMBL11089795 0.76 ALDH1A1 (0.43) KMT2AMEN1HPGDRAB9ANPSR1
SCHEMBL11088189 0.75 SMN1; SMN2 (0.44) MMP2MMP12KMT2AMMP9MEN1
SCHEMBL11094031 0.74 KMT2A (0.44) MMP2MMP12MMP13MMP14MMP8
SCHEMBL11090150 0.74 HPGD (0.45) KMT2AMEN1HPGDRAB9ANPSR1
SCHEMBL3671243 0.74 MAOA (0.45) MMP2MMP12MMP13MMP14MMP8

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
US-4472433-A Phenoxyphenyl acetic acids and their medicinal use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0008226-A2 Phenyl-alkanoic acid derivatives, the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-20 EP disclosed