SCHEMBL878178

SCHEMBL878178

CC(C)(C)OC(=O)C(Br)CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
GLA P06280 1/20 0.41
BRCA1 P38398 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL442293 0.92 MMP2 (0.44) SMN1; SMN2ALDH1A1MMP2MMP9HSD17B10
SCHEMBL9322023 0.91 HDAC1 (0.47) SMN1; SMN2ALDH1A1HSD17B10TDP1TSHR
SCHEMBL6291909 0.86 PKM (0.47) SMN1; SMN2ALDH1A1GAAPKMMMP2
SCHEMBL13384515 0.85 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1GAAPKMMMP2
SCHEMBL18451265 0.85 GAA (0.48) SMN1; SMN2ALDH1A1GAAPKMMMP2
SCHEMBL18918957 0.81 MMP2 (0.46) SMN1; SMN2PKMMMP2MMP9HSD17B10
SCHEMBL30852760 0.80 ALDH1A1 (0.50) ALDH1A1PKMMMP2MMP9
SCHEMBL1435917 0.80 ALDH1A1 (0.50) ALDH1A1PKMMMP2MMP9
SCHEMBL5544746 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1GAAPKMMMP2
SCHEMBL5031610 0.79 MMP2 (0.44) SMN1; SMN2MMP2MMP9HSD17B10TDP1

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
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed