SCHEMBL7534733

SCHEMBL7534733

COC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.58
MMP9 P14780 7/20 0.58
MMP8 P22894 6/20 0.58
MMP1 P03956 13/20 0.58
MMP3 P08254 12/20 0.58
PDE4A P27815 6/20 0.57
PDE4B Q07343 6/20 0.57
PDE4C Q08493 6/20 0.57
PDE4D Q08499 6/20 0.57
MMP13 P45452 2/20 0.53
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BMP1 P13497 1/20 0.47

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
SCHEMBL7077710 0.91 MMP2 (0.70) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7422537 0.89 MMP2 (0.56) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7431052 0.88 MMP2 (0.58) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7423442 0.86 MMP1 (0.53) MMP2MMP9MMP8MMP1MMP3
SCHEMBL1858392 0.83 ALDH1A1 (0.57) MMP2MMP1MMP3PDE4APDE4B
SCHEMBL7083877 0.81 MMP2 (0.57) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7432957 0.81 MMP2 (0.53) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6575906 0.80 MMP2 (0.47) MMP2MMP9MMP8MMP1MMP3
Anisole SCHEMBL28943732 0.80 MMP1 (0.48) MMP2MMP9MMP8MMP1MMP3
SCHEMBL1855703 0.80 ALDH1A1 (0.54) MMP2MMP1MMP3PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051395-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2000-11-15 EP disclosed
US-6100266-A Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2000-08-08 US disclosed
WO-1999038843-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 1999-08-05 WO disclosed