SCHEMBL4474935

SCHEMBL4474935

CCOc1ccc(C(=O)OCc2ccc(CC(OC(C)C)C(=O)O)cc2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.48
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
MAPT P10636 1/20 0.43
PPARA Q07869 9/20 0.42
PPARD Q03181 7/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL4499008 0.76 PPARG (0.48) PPARGMAPTPPARAPPARDNPC1
SCHEMBL12493300 0.75 TAS1R3 (0.60) TAS1R3TAS1R1NPC1RAB9ASMN1; SMN2
SCHEMBL4339988 0.74 PPARG (0.44) PPARGPPARAPPARD
SCHEMBL23226754 0.73 FFAR4 (0.59) MAPTNPC1RAB9ASMN1; SMN2FFAR4
SCHEMBL4328026 0.73 CYP2D6 (0.47) PPARGPPARAPPARD
SCHEMBL4347157 0.73 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL13440181 0.72 FFAR4 (0.58) MAPTNPC1RAB9ASMN1; SMN2FFAR4
SCHEMBL4336608 0.72 PPARG (0.42) PPARGMAPTPPARAPPARDNPC1
SCHEMBL4327205 0.71 ATM (0.42) PPARGMAPTPPARAPPARDRAB9A
SCHEMBL4474939 0.70 PPARG (0.44) PPARGMAPTPPARAPPARDNPC1

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed