SCHEMBL6585645

SCHEMBL6585645

O=C(NO)[C@@H](CCCc1ccccc1)S(=O)(=O)N1CC=C(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.57
MMP3 P08254 9/20 0.57
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
NAMPT P43490 1/20 0.42
USP5 P45974 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
HSD11B1 P28845 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL6585644 1.00 MMP2 (0.57) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6585649 1.00 MMP2 (0.57) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6584273 0.89 MMP2 (0.58) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6584267 0.89 MMP2 (0.58) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6584277 0.89 MMP2 (0.58) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6586015 0.88 MMP2 (0.61) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6586021 0.88 MMP2 (0.61) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6586013 0.88 MMP2 (0.61) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6598692 0.87 MMP2 (0.51) MMP2MMP3ALDH1A1PKMNAMPT
SCHEMBL6598701 0.87 MMP2 (0.51) MMP2MMP3ALDH1A1PKMNAMPT

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