SCHEMBL6682573

SCHEMBL6682573

CC(N)Cc1ccccc1S(=O)(=O)c1ccc(OC(=O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.50
MMP12 P39900 12/20 0.50
MMP13 P45452 10/20 0.50
MMP14 P50281 10/20 0.50
MMP8 P22894 8/20 0.50
MMP16 P51512 8/20 0.50
MMP9 P14780 11/20 0.47
MMP3 P08254 8/20 0.47
MMP1 P03956 7/20 0.47
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADAM17 P78536 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PKM P14618 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.40

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
SCHEMBL6676499 0.81 ESR1 (0.44) MMP2MMP12MMP13MMP14MMP8
SCHEMBL29185447 0.77 PARP10 (0.55) MAPTTDP1L3MBTL1PARP10PKM
SCHEMBL11775909 0.76 PARP10 (0.61) MAPTTDP1L3MBTL1SMN1; SMN2PARP10
SCHEMBL12123501 0.76 MAPT (0.72) MAPTTDP1L3MBTL1SMN1; SMN2PARP10
SCHEMBL9528723 0.73 SMN1; SMN2 (0.61) MAPTTDP1L3MBTL1SMN1; SMN2PARP10
SCHEMBL26039005 0.72 SMN1; SMN2 (0.59) MAPTTDP1L3MBTL1SMN1; SMN2PARP10
SCHEMBL9806485 0.71 PARP10 (0.54) MAPTTDP1L3MBTL1SMN1; SMN2PARP10
SCHEMBL9806487 0.71 ELANE (0.58) MAPTTDP1L3MBTL1SMN1; SMN2PARP10
SCHEMBL20546617 0.71 MAPT (0.60) MAPTTDP1L3MBTL1SMN1; SMN2PARP10
SCHEMBL27511781 0.71 PLG (0.64) MAPTTDP1L3MBTL1SMN1; SMN2PARP10

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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed