SCHEMBL4474939

SCHEMBL4474939

CCOCc1ccc(C(=O)OCc2ccccc2CC(OC(C)C)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.44
MAPT P10636 5/20 0.42
LMNA P02545 2/20 0.41
KMT2A Q03164 4/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 2/20 0.40
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
PPARA Q07869 3/20 0.38
PPARD Q03181 2/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4499011 0.86 GAA (0.46) PPARGMAPTLMNAKMT2ARAB9A
SCHEMBL4329791 0.72 LMNA (0.44) MAPTLMNAKMT2ATDP1RAB9A
SCHEMBL4499008 0.71 PPARG (0.48) PPARGMAPTLMNAKMT2ATDP1
SCHEMBL14281812 0.71 CA12 (0.67) MAPTLMNAKMT2ATDP1RAB9A
SCHEMBL4328015 0.70 NPC1 (0.47) MAPTLMNAKMT2ATDP1RAB9A
SCHEMBL4474935 0.70 PPARG (0.48) PPARGMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL4341658 0.69 MAPT (0.48) MAPTLMNAKMT2ARAB9ASMN1; SMN2
Benzyl Benzoate SCHEMBL11156612 0.68 TDP1 (0.79) MAPTLMNAKMT2ASLC6A2SLC6A3
SCHEMBL4327192 0.68 CYP1A2 (0.56) PPARGMAPTLMNAKMT2ARAB9A
SCHEMBL4335538 0.68 KMT2A (0.45) MAPTKMT2ATDP1RAB9ASMN1; 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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed