SCHEMBL7424360

SCHEMBL7424360

O=C(C[C@H](CCCc1ccccc1)C(=O)O)c1ccc2c3c(oc2c1)CCCCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
NFKB1 P19838 2/20 0.40
TDP1 Q9NUW8 4/20 0.39
GRIK1 P39086 1/20 0.39
KMO O15229 1/20 0.39
MAOB P27338 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KLF5 Q13887 1/20 0.36

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
SCHEMBL7430672 1.00 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7429273 0.99 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7428801 0.97 NFKB1 (0.39) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7423558 0.97 NFKB1 (0.39) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7485610 0.97 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7476034 0.97 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7485122 0.96 NFKB1 (0.39) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7426735 0.96 NFKB1 (0.39) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7433783 0.96 NFKB1 (0.39) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7423735 0.96 NFKB1 (0.39) MMP1MMP2MMP3MMP9MMP8

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
US-6350885-B1 TREATMENT OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURYSM, HEART FAILURE, LEFT VENTRICULAR DILATION, RESTENOSIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, TREATMENT OF BURNS, DECUBITAL ULCERS, WOUND HEALING AGENT WARNER-LAMBERT COMPANY 2002-02-26 US claimed
WO-2000006560-A1 TRICYCLIC HETEROAROMATICS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 WO claimed
US-6350885-B1 TREATMENT OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURYSM, HEART FAILURE, LEFT VENTRICULAR DILATION, RESTENOSIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, TREATMENT OF BURNS, DECUBITAL ULCERS, WOUND HEALING AGENT WARNER-LAMBERT COMPANY 2002-02-26 US disclosed
WO-2000006560-A1 TRICYCLIC HETEROAROMATICS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed