SCHEMBL10419954

SCHEMBL10419954

COc1ccc(S(=O)(=O)C(CCCCCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.64
MMP2 P08253 8/20 0.64
MMP3 P08254 8/20 0.64
PDE4A P27815 8/20 0.64
PDE4B Q07343 8/20 0.64
PDE4C Q08493 8/20 0.64
PDE4D Q08499 8/20 0.64
MMP13 P45452 7/20 0.57
MMP9 P14780 6/20 0.57
ADAM17 P78536 3/20 0.56
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.50
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46

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
SCHEMBL10420615 0.95 MMP1 (0.58) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL10419183 0.95 MMP1 (0.58) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL10420879 0.91 MMP1 (0.54) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL10420220 0.91 MMP1 (0.54) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL10420433 0.91 MMP1 (0.54) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL10420789 0.90 MMP2 (0.53) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL10419478 0.90 MMP2 (0.53) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL9858267 0.89 MMP1 (0.52) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL10420420 0.87 TRPA1 (0.48) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL10419552 0.87 TRPA1 (0.48) MMP1MMP2MMP3PDE4APDE4B

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-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 US disclosed