SCHEMBL6584929

SCHEMBL6584929

COC(=O)CS(=O)(=O)N1CCC(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.72
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
HSD11B1 P28845 2/20 0.44
MMP2 P08253 2/20 0.44
MMP13 P45452 1/20 0.43
USP5 P45974 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6588226 0.92 MMP3 (0.60) MMP3ALDH1A1MAPTHPGDNPSR1
SCHEMBL6590110 0.88 MMP3 (0.76) MMP3ALDH1A1MAPTHPGDNPSR1
SCHEMBL6585216 0.84 MMP3 (1.00) MMP3ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6434485 0.78 MMP3 (0.47) MMP3ALDH1A1MAPTHPGDNPSR1
SCHEMBL6586759 0.78 MAPT (0.60) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL6588468 0.77 MMP3 (0.58) MMP3ALDH1A1MMP2USP5
SCHEMBL6590060 0.77 MMP3 (0.73) MMP3ALDH1A1KDM4EHSD11B1MMP2
SCHEMBL6586996 0.76 MMP3 (0.74) MMP3ALDH1A1MAPTLMNATSHR
SCHEMBL4654716 0.76 MMP3 (0.85) MMP3ALDH1A1KDM4EHSD11B1MMP2
SCHEMBL6590876 0.75 MMP3 (0.69) MMP3MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed