SCHEMBL4055920

SCHEMBL4055920

COc1cccc(Oc2ncccc2CC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
MAPK8 P45983 2/20 0.48
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SLC13A5 Q86YT5 1/20 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
SCHEMBL9039983 0.88 MAPK8 (0.47) LMNAMAPK8TDP1KMT2AMEN1
SCHEMBL9041248 0.82 TDP1 (0.53) KDM4EMAPTMAPK8TDP1KMT2A
SCHEMBL5780757 0.81 SLC13A5 (0.58) KDM4ECYP1A2MAPTHSD17B10TDP1
SCHEMBL7374241 0.80 TDP1 (0.59) LMNAKDM4EMAPTMAPK8TDP1
SCHEMBL4166291 0.79 KCNA5 (0.59) LMNAKDM4ECYP1A2MAPTHSD17B10
SCHEMBL11479264 0.79 MAPK8 (0.42) KDM4ECYP1A2MAPTMAPK8TDP1
SCHEMBL9152146 0.78 SLC1A5 (0.57) LMNAKDM4EHSD17B10KMT2AMEN1
SCHEMBL9043422 0.77 HIF1A (0.48) MAPK8TDP1KMT2AMEN1RAB9A
SCHEMBL9041764 0.77 TDP1 (0.44) MAPK8TDP1KMT2AMEN1HTT
SCHEMBL9487325 0.77 TDP1 (0.59) MAPTMAPK8TDP1KMT2AMEN1

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-2024371-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-02-18 EP disclosed
WO-2007134434-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-11-29 WO disclosed