SCHEMBL14199898

SCHEMBL14199898

CC(C)c1oc(C(=O)O)cc1COc1ccc2c3c(oc2c1)CCC=C3

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.53
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 5/20 0.48
POLB P06746 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
HPGD P15428 3/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 2/20 0.47
ACLY P53396 1/20 0.42
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
APEX1 P27695 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL14201277 0.84 PTGER4 (0.54) PTGER4ALDH1A1MAPTKDM4EPOLB
SCHEMBL14200298 0.81 PTGER4 (0.48) PTGER4ALDH1A1MAPTKDM4EPOLB
SCHEMBL3534869 0.80 PTGER4 (0.68) PTGER4ALDH1A1MAPTKDM4EPOLB
SCHEMBL3538284 0.70 PTGER4 (1.00) PTGER4
SCHEMBL3537638 0.69 PTGER4 (0.84) PTGER4
SCHEMBL3535902 0.67 PTGER4 (0.87) PTGER4ALDH1A1MAPTKDM4EPOLB
SCHEMBL4690777 0.67 PTGER4 (0.51) PTGER4ALDH1A1MAPTKDM4EGAA
SCHEMBL13452001 0.64 MAOB (0.37) ALDH1A1POLBHPGDGAARAB9A
SCHEMBL13354637 0.63 PTGER4 (0.57) PTGER4ALDH1A1MAPTKDM4EPOLB
SCHEMBL3534956 0.63 PTGER4 (0.69) PTGER4ALDH1A1MAPTKDM4EPOLB

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
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP disclosed