SCHEMBL6584396

SCHEMBL6584396

CCOc1ccc(-c2ccc(C3=CCN(S(=O)(=O)C4(C(=O)O)CCOCC4)CC3)cc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.54
MMP3 P08254 11/20 0.54
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
PTGDR Q13258 1/20 0.37
EPHX1 P07099 1/20 0.37
FKBP1A P62942 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
ADAM10 O14672 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6588431 0.92 MMP2 (0.66) MMP2MMP3CCNT1CDK9GAA
SCHEMBL6582503 0.92 MMP2 (0.55) MMP2MMP3CCNT1CDK9PTGDR
SCHEMBL6586008 0.91 MMP2 (0.58) MMP2MMP3CCNT1CDK9ADAM10
SCHEMBL6583989 0.89 MMP2 (0.60) MMP2MMP3EPHX1ALDH1A1
SCHEMBL6584555 0.84 MMP2 (0.63) MMP2MMP3EPHX1GAAADAM10
SCHEMBL6582426 0.84 MMP2 (0.66) MMP2MMP3CCNT1CDK9ADAM10
SCHEMBL6588157 0.84 MMP2 (0.70) MMP2MMP3CCNT1CDK9ADAM10
SCHEMBL6586997 0.82 MMP2 (0.59) MMP2MMP3EPHX1GAAADAM10
SCHEMBL6965353 0.81 MMP2 (0.46) MMP2MMP3ADAM10ALDH1A1
SCHEMBL6586078 0.81 MMP2 (0.64) MMP2MMP3ALDH1A1

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 4 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
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed