SCHEMBL7424705

SCHEMBL7424705

CCOC(=O)C(CCCc1ccccc1)CC(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.49
GRIK1 P39086 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MMP2 P08253 7/20 0.44
MMP3 P08254 3/20 0.44
MAPT P10636 1/20 0.44
BMP1 P13497 1/20 0.43
ALOX5 P09917 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7427000 0.89 MMP2 (0.53) MEN1NPC1KMT2AMMP2MMP3
SCHEMBL6778466 0.88 MEN1 (0.53) MEN1NPC1KMT2AGRIK1SMN1; SMN2
SCHEMBL7423179 0.83 MEN1 (0.46) MEN1NPC1KMT2AGRIK1SMN1; SMN2
SCHEMBL10816014 0.82 SMN1; SMN2 (0.51) MEN1NPC1KMT2AGRIK1SMN1; SMN2
SCHEMBL10816013 0.82 SMN1; SMN2 (0.51) MEN1NPC1KMT2AGRIK1SMN1; SMN2
SCHEMBL31516106 0.81 GRIK1 (0.46) MEN1NPC1KMT2AGRIK1SMN1; SMN2
SCHEMBL1857414 0.81 SMN1; SMN2 (0.48) MEN1NPC1KMT2AGRIK1SMN1; SMN2
SCHEMBL12265854 0.80 KMT2A (0.59) MEN1NPC1KMT2AGRIK1MMP2
SCHEMBL7427195 0.80 SMN1; SMN2 (0.50) MEN1NPC1KMT2AGRIK1SMN1; SMN2
SCHEMBL31516059 0.80 HSD17B10 (0.53) MEN1NPC1KMT2AGRIK1SMN1; SMN2

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
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