SCHEMBL6598701

SCHEMBL6598701

COC(=O)[C@H](CCCc1ccccc1)S(=O)(=O)N1CC=C(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.51
MMP3 P08254 10/20 0.51
NAMPT P43490 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
USP5 P45974 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6598695 1.00 MMP2 (0.51) MMP2MMP3NAMPTS1PR1S1PR3
SCHEMBL6598692 1.00 MMP2 (0.51) MMP2MMP3NAMPTS1PR1S1PR3
SCHEMBL6585860 0.90 MMP2 (0.53) MMP2MMP3NAMPTALDH1A1PKM
SCHEMBL6585864 0.90 MMP2 (0.53) MMP2MMP3NAMPTALDH1A1PKM
SCHEMBL6585869 0.90 MMP2 (0.53) MMP2MMP3NAMPTALDH1A1PKM
SCHEMBL6586127 0.88 MMP2 (0.55) MMP2MMP3NAMPTALDH1A1PKM
SCHEMBL6586121 0.88 MMP2 (0.55) MMP2MMP3NAMPTALDH1A1PKM
SCHEMBL6586125 0.88 MMP2 (0.55) MMP2MMP3NAMPTALDH1A1PKM
SCHEMBL6585644 0.87 MMP2 (0.57) MMP2MMP3NAMPTS1PR1S1PR3
SCHEMBL6585649 0.87 MMP2 (0.57) MMP2MMP3NAMPTS1PR1S1PR3

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