SCHEMBL6582503

SCHEMBL6582503

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.55
MMP3 P08254 11/20 0.55
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADAM10 O14672 2/20 0.38
FKBP1A P62942 1/20 0.36
PTGDR Q13258 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 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
SCHEMBL6582426 0.92 MMP2 (0.66) MMP2MMP3CCNT1CDK9CYP3A4
SCHEMBL6584396 0.92 MMP2 (0.54) MMP2MMP3CCNT1CDK9ADAM10
SCHEMBL6586008 0.91 MMP2 (0.58) MMP2MMP3CCNT1CDK9ADAM10
SCHEMBL6586997 0.89 MMP2 (0.59) MMP2MMP3CYP3A4CYP2C9PKM
SCHEMBL6584779 0.85 MMP2 (0.65) MMP2MMP3CCNT1CDK9CYP3A4
SCHEMBL6588431 0.84 MMP2 (0.66) MMP2MMP3CCNT1CDK9ADAM10
SCHEMBL6588157 0.84 MMP2 (0.70) MMP2MMP3CCNT1CDK9ADAM10
SCHEMBL6433272 0.84 MMP2 (0.44) MMP2MMP3CYP3A4CYP2C9PKM
SCHEMBL6590191 0.82 MMP2 (0.63) MMP2MMP3PKM
SCHEMBL6583989 0.80 MMP2 (0.60) MMP2MMP3PKM

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