SCHEMBL7991101

SCHEMBL7991101

O=C(CCCCc1ccccc1)CCC(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.54
MMP12 P39900 5/20 0.54
MMP9 P14780 10/20 0.48
MMP2 P08253 9/20 0.48
MMP8 P22894 3/20 0.48
MMP14 P50281 2/20 0.48
PTGDR Q13258 2/20 0.47
MMP7 P09237 3/20 0.46
ADAMTS4 O75173 1/20 0.45
MMP1 P03956 2/20 0.43
MMP3 P08254 2/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL7352707 0.91 MMP13 (0.59) MMP13MMP12MMP9MMP2MMP8
SCHEMBL7349914 0.90 MMP13 (0.58) MMP13MMP12MMP9MMP2MMP8
SCHEMBL7351035 0.90 MMP13 (0.60) MMP13MMP12MMP9MMP2MMP8
SCHEMBL7346134 0.88 MMP2 (0.60) MMP13MMP12MMP9MMP2MMP8
SCHEMBL4425589 0.88 MMP12 (0.62) MMP13MMP12MMP9MMP2MMP8
SCHEMBL4425599 0.88 MMP12 (0.62) MMP13MMP12MMP9MMP2MMP8
SCHEMBL7345990 0.86 MMP2 (0.57) MMP13MMP12MMP9MMP2MMP8
SCHEMBL7348895 0.85 MMP13 (0.54) MMP13MMP12MMP9MMP2MMP8
SCHEMBL7350420 0.85 MMP2 (0.68) MMP13MMP12MMP9MMP2MMP8
SCHEMBL7352634 0.85 MMP12 (0.64) MMP13MMP12MMP9MMP2MMP8

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 1 patent. 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 disclosed