SCHEMBL18722720

SCHEMBL18722720

CC1(C)CCC(C)(C)c2cc(C(=O)CC3(O)C(=O)Nc4ccc([N+](=O)[O-])cc43)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.52
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 2/20 0.47
F2 P00734 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
CBX7 O95931 2/20 0.46
CDYL Q9Y232 2/20 0.46
CDYL2 Q8N8U2 1/20 0.46
CDY1; CDY1B Q9Y6F8 1/20 0.46
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GSK3B P49841 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP26A1 O43174 1/20 0.42
CYP26B1 Q9NR63 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
SCHEMBL18722715 0.86 MMP8 (0.41) MMP8ALDH1A1MMP2MMP9CYP3A4
SCHEMBL17370968 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2USP2F2L3MBTL1
SCHEMBL18722718 0.84 CBX7 (0.65) MMP8ALDH1A1SMN1; SMN2USP2F2
SCHEMBL18722719 0.80 MMP2 (0.51) MMP8ALDH1A1SMN1; SMN2USP2F2
SCHEMBL18722717 0.78 CBX7 (0.55) MMP8ALDH1A1SMN1; SMN2USP2F2
SCHEMBL13284254 0.76 F2 (0.64) MMP8ALDH1A1SMN1; SMN2USP2F2
SCHEMBL28617622 0.75 MMP8 (0.68) MMP8ALDH1A1SMN1; SMN2USP2L3MBTL1
SCHEMBL448167 0.74 TSHR (0.47) ALDH1A1CYP3A4HSD17B10
SCHEMBL27780980 0.73 ALDH1A1 (0.47) MMP8ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL16377139 0.73 ALDH1A1 (0.54) MMP8ALDH1A1MMP2MMP9CYP3A4

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-9616047-B2 Inhibitors of beta-catenin in treatment of colorectal cancer REGENTS OF UNIVERSITY OF MINNESOTA (US) 2017-04-11 US disclosed