SCHEMBL7344147

SCHEMBL7344147

O=C(O)C(CCCCNC(=O)C(c1ccccc1)C1CCCC1)NS(=O)(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.47
MMP13 P45452 4/20 0.47
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
PTGDR Q13258 3/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGIR P43119 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
SCHEMBL7352006 0.83 MMP12 (0.52) MMP12MMP13MMP2MMP9MMP8
SCHEMBL7350497 0.80 MMP12 (0.50) MMP12MMP13CYP1A2MMP2MMP9
SCHEMBL7348836 0.80 BMP1 (0.53) MMP12MMP13MMP2MMP9MMP8
SCHEMBL7352548 0.80 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP8
SCHEMBL7352152 0.80 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP8
SCHEMBL7351458 0.80 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP8
SCHEMBL7347007 0.79 MMP13 (0.57) MMP12MMP13CYP1A2CYP3A4TSHR
SCHEMBL7353508 0.78 MMP12 (0.50) MMP12MMP13MMP2MMP9PTGDR
SCHEMBL7344211 0.78 MMP2 (0.65) MMP12MMP13MMP2MMP9MMP8
SCHEMBL7353164 0.78 MMP12 (0.52) MMP12MMP13MMP2MMP9MMP8

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