SCHEMBL28025804

SCHEMBL28025804

C[C@H](Oc1ccc(C(=O)O)nc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 9/20 0.47
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
P4HA1 P13674 1/20 0.42
MIF P14174 1/20 0.42
NR3C1 P04150 2/20 0.42
ALDH1A1 P00352 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL28025807 1.00 P4HTM (0.47) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL5649401 0.82 KMT2A (0.55) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL711104 0.82 KMT2A (0.55) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL287558 0.79 P4HTM (0.53) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL17495670 0.77 SIRT6 (0.42) KDM4EL3MBTL1MAPK1GABRA1GABRG2
SCHEMBL18401863 0.77 SIRT6 (0.42) KDM4EL3MBTL1MAPK1GABRA1GABRG2
SCHEMBL17162305 0.76 P4HTM (0.54) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL29488317 0.76 P4HTM (0.53) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL2300999 0.76 P4HTM (0.53) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL17520868 0.75 P4HTM (0.49) P4HTMKDM4EL3MBTL1MAPK1P4HA1

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
CN-104837818-A Pyridine-2-amides useful as CB2 agonists HOFFMANN LA ROCHE 2015-08-12 CN disclosed