SCHEMBL7352971

SCHEMBL7352971

COc1ccc(OCC(=O)NCCCCC(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
MMP12 P39900 5/20 0.49
MMP13 P45452 3/20 0.49
MMP2 P08253 7/20 0.48
MMP9 P14780 6/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
BMP1 P13497 1/20 0.45
SGMS1 Q86VZ5 1/20 0.45
MMP14 P50281 4/20 0.45
MMP8 P22894 3/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL7344858 0.94 MMP12 (0.51) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7345900 0.92 MMP2 (0.50) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7346914 0.91 MMP12 (0.47) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7343304 0.90 MMP2 (0.46) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7350907 0.89 MMP2 (0.55) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7344226 0.88 CYP1A2 (0.62) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7352682 0.87 MEN1 (0.51) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7348966 0.85 MMP12 (0.47) MEN1KMT2AMMP12MMP13MMP2
SCHEMBL7372084 0.84 MMP2 (0.49) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7346117 0.83 ALDH1A1 (0.51) MMP12MMP13MMP2MMP9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294674-B1 FOR THERAPY OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, RESTENOSIS, AORTIC ANEURISM, HEART FAILURE, PERIODONTAL DISEASE, CORNEAL ULCERATION, BURNS, DECUBITAL ULCERS, CHRONIC ULCERS OR WOUNDS, CANCER METASTASIS WARNER-LAMBERT COMPANY 2001-09-25 US claimed
EP-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP claimed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO claimed
US-6294674-B1 FOR THERAPY OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, RESTENOSIS, AORTIC ANEURISM, HEART FAILURE, PERIODONTAL DISEASE, CORNEAL ULCERATION, BURNS, DECUBITAL ULCERS, CHRONIC ULCERS OR WOUNDS, CANCER METASTASIS WARNER-LAMBERT COMPANY 2001-09-25 US disclosed
EP-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP disclosed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO disclosed