SCHEMBL4455249

SCHEMBL4455249

COc1ccc(C[C@](C)(OC)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 1/20 0.50
EPHX2 P34913 1/20 0.50
KMT2A Q03164 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LDHA P00338 1/20 0.50
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
APEX1 P27695 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL4460123 0.87 PPARA (0.56) PPARGPPARAMEN1KMT2AMAPT
SCHEMBL3272549 0.84 PPARG (0.59) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL3272547 0.84 PPARG (0.59) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL3801397 0.82 LDHA (0.53) PPARGPPARANPC1RAB9AMEN1
SCHEMBL28136422 0.82 LDHA (0.53) PPARGPPARANPC1RAB9AMEN1
SCHEMBL3739737 0.81 LDHA (0.51) PPARGPPARANPC1RAB9AMEN1
SCHEMBL7676911 0.81 LDHA (0.51) PPARGPPARANPC1RAB9AMEN1
SCHEMBL28246723 0.81 LDHA (0.51) PPARGPPARANPC1RAB9AMEN1
SCHEMBL4413232 0.81 LDHA (0.51) PPARGPPARANPC1RAB9AMEN1
SCHEMBL5208103 0.80 LDHA (0.55) NPC1RAB9ALDHAPOLBSMN1; SMN2

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-20090029429-A1 Process for Producing Optically Active 2-Substituent-Oxy-3-(4-Substituent-Oxyphenyl) Propionic Acid Derivative KANEKA CORPORATION (JP) 2009-01-29 US disclosed