SCHEMBL11070050

SCHEMBL11070050

CCOc1ccc(CC(=O)O)c(CC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
SQSTM1 Q13501 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
KDM4E B2RXH2 4/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
NQO1 P15559 1/20 0.43
PARP10 Q53GL7 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CAMK2A Q9UQM7 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL21437911 0.86 POLB (0.51) HSD17B10L3MBTL1MAPTSQSTM1KEAP1
SCHEMBL15935612 0.84 HSD17B10 (0.70) HSD17B10MAPTAKR1C3AKR1C2KDM4E
SCHEMBL16372583 0.83 MEN1 (0.50) HSD17B10L3MBTL1MAPTSQSTM1KEAP1
SCHEMBL16267829 0.83 KDM4E (0.52) HSD17B10L3MBTL1MAPTSQSTM1KEAP1
SCHEMBL16930126 0.83 THRB (0.51) HSD17B10L3MBTL1MAPTSQSTM1KEAP1
SCHEMBL20232451 0.83 PPARG (0.53) L3MBTL1MAPTSQSTM1KEAP1NFE2L2
SCHEMBL7083444 0.83 NQO1 (0.56) HSD17B10L3MBTL1MAPTAKR1C3AKR1C2
SCHEMBL2168667 0.77 AKR1C3 (0.48) HSD17B10L3MBTL1MAPTSQSTM1KEAP1
SCHEMBL686360 0.77 KDM4E (0.54) HSD17B10L3MBTL1MAPTAKR1C3AKR1C2
SCHEMBL10607711 0.77 NQO1 (0.48) HSD17B10L3MBTL1MAPTAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426536-A Synthesis of phenylacetic acid esters ELI LILLY AND COMPANY (US) 1984-01-17 US disclosed
EP-0098058-A1 Synthesis of phenylacetic acid esters ELI LILLY AND COMPANY (US) 1984-01-11 EP disclosed