SCHEMBL7320832

SCHEMBL7320832

CCCCCCCC(Nc1c(CO)cccc1C(=O)OC)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.50
MMP9 P14780 7/20 0.50
MMP13 P45452 6/20 0.50
ADAM17 P78536 5/20 0.50
MMP2 P08253 7/20 0.48
MMP3 P08254 7/20 0.48
LMNA P02545 1/20 0.40
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7325109 0.86 MMP1 (0.49) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7351580 0.85 MMP9 (0.49) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7321284 0.77 MMP1 (0.58) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7825421 0.74 MMP9 (0.45) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7320843 0.73 MMP1 (0.48) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7444935 0.73 MMP9 (0.47) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7325126 0.73 MMP1 (0.47) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7351583 0.72 MMP1 (0.48) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL8412098 0.70 MMP1 (0.69) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7320834 0.69 MMP1 (0.49) MMP1MMP9MMP13ADAM17MMP2

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed