SCHEMBL5209518

SCHEMBL5209518

CCCc1c([C]=O)cnn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.49
ALDH1A1 P00352 9/20 0.47
MAPT P10636 6/20 0.47
MAPK1 P28482 4/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 1/20 0.47
MAPK14 Q16539 4/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL12203848 0.78 ALDH1A1 (0.51) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL23399438 0.76 NR4A3 (0.53) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL2123401 0.76 NR4A3 (0.49) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL773204 0.76 NR4A3 (0.78) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL33201 0.76 NR4A3 (0.49) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL3839947 0.76 MAPK1 (0.54) MAPTMAPK1RAB9APKM
SCHEMBL13593554 0.75 ALDH1A1 (0.63) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL33204 0.74 NR4A3 (0.47) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL26042 0.74 NR4A3 (0.54) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL12385631 0.74 NR4A3 (0.47) NR4A3ALDH1A1MAPTMAPK1GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667959-A1 BIPHENYLOXY-ACIDS Wyeth (US) 2006-06-14 EP claimed
WO-2005030702-A1 BIPHENYLOXY-ACIDS WYETH (US) 2005-04-07 WO claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed
EP-1667959-A1 BIPHENYLOXY-ACIDS Wyeth (US) 2006-06-14 EP disclosed
WO-2005030702-A1 BIPHENYLOXY-ACIDS WYETH (US) 2005-04-07 WO disclosed