SCHEMBL1679080

SCHEMBL1679080

COc1ccc(-c2cccc(C(C)C(=O)O)c2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.55
MMP3 P08254 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP12 P39900 1/20 0.55
MMP13 P45452 1/20 0.55
MMP14 P50281 1/20 0.55
MMP16 P51512 1/20 0.55
APP P05067 1/20 0.52
CYP2C19 P33261 1/20 0.52
BACE1 P56817 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PPARA Q07869 6/20 0.44
PPARG P37231 5/20 0.44
PTGS2 P35354 3/20 0.43
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 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
SCHEMBL1679149 0.83 CYP2C9 (0.48) MMP2MMP3MMP9MMP8MMP12
SCHEMBL13366078 0.83 ABL1 (0.47) APPBACE1SMN1; SMN2HDAC4HDAC2
SCHEMBL1679330 0.82 APP (0.49) MMP2MMP3MMP9MMP8MMP12
SCHEMBL1679633 0.78 CYP2C19 (0.54) MMP2MMP3MMP9MMP8MMP12
SCHEMBL2744891 0.77 SMN1; SMN2 (0.59) CYP2C19SMN1; SMN2HDAC4HDAC2HDAC8
SCHEMBL15743720 0.77 ABL1 (0.59) APPBACE1SMN1; SMN2HDAC4HDAC2
SCHEMBL28518787 0.76 PTGS1 (0.46) SMN1; SMN2PTGS2PTGS1
SCHEMBL1678823 0.75 PDE4A (0.45) MMP2MMP3MMP9MMP8MMP12
SCHEMBL3954798 0.74 PTGS2 (0.55) MMP2MMP3MMP9MMP8MMP12
SCHEMBL4941492 0.73 MMP2 (0.58) MMP2MMP3MMP9MMP8MMP12

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-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed