SCHEMBL5009330

SCHEMBL5009330

CC1CC(CC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)(C(=O)O)CCO1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.42
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
GSK3B P49841 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
AKR1B1 P15121 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PGR P06401 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
HSD11B1 P28845 1/20 0.36
NQO2 P16083 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL5011043 0.84 MMP2 (0.34) MMP8MMP2MMP9AKR1B1MAPT
SCHEMBL1748194 0.75 MMP8 (0.44) MMP8POLBMAPK1GSK3BMMP2
SCHEMBL5005961 0.73 MMP8 (0.44) MMP8POLBMAPK1GSK3BMMP2
SCHEMBL1748236 0.71 MMP8 (0.47) MMP8POLBMAPK1GSK3BMMP2
SCHEMBL16690227 0.66 GSK3B (0.61) MMP8POLBMAPK1GSK3BMAPT
Water SCHEMBL29199054 0.65 GSK3B (0.59) MMP8POLBMAPK1GSK3BMAPT
SCHEMBL11756878 0.64 FFAR1 (0.64) POLBMAPK1GSK3BMAPTCYP1A2
SCHEMBL17973393 0.64 MAPK1 (0.58) MMP8POLBMAPK1GSK3BMAPT
SCHEMBL7369237 0.63 GSK3B (0.89) POLBMAPK1GSK3BTDP1HSD11B1
SCHEMBL7208394 0.63 GSK3B (0.65) MMP8POLBMAPK1GSK3BMAPT

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-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed