SCHEMBL7320834

SCHEMBL7320834

CCCCCC(CO)C(CNc1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.49
MMP9 P14780 3/20 0.49
MMP13 P45452 3/20 0.49
ADAM17 P78536 2/20 0.49
MMP2 P08253 7/20 0.48
MMP3 P08254 7/20 0.48
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL7325114 0.86 MMP1 (0.48) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7320843 0.80 MMP1 (0.48) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7320832 0.69 MMP1 (0.50) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7325126 0.69 MMP1 (0.47) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7207041 0.68 MMP1 (0.61) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL5928710 0.67 KDM4E (0.69) MEN1NPC1KMT2AKDM4EHSD17B10
SCHEMBL5158052 0.67 LMNA (0.79) MEN1NPC1KMT2AKDM4EHSD17B10
SCHEMBL1847769 0.67 MMP1 (1.00) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6927179 0.67 MMP1 (1.00) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL7325109 0.67 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