SCHEMBL14066552

SCHEMBL14066552

CC(=O)CCc1ccc(-c2ccc(-c3ccc(CCC(=O)O)cc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.71
ALDH1A1 P00352 1/20 0.64
RXRA P19793 1/20 0.60
RXRB P28702 1/20 0.60
RXRG P48443 1/20 0.60
KEAP1 Q14145 1/20 0.57
FFAR4 Q5NUL3 3/20 0.54
MMP12 P39900 1/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAP4K4 O95819 1/20 0.48

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
SCHEMBL3533619 0.89 FFAR1 (0.87) FFAR1RXRARXRBRXRGKEAP1
SCHEMBL14066660 0.89 FFAR1 (0.87) FFAR1RXRARXRBRXRGKEAP1
SCHEMBL8260837 0.88 ALDH1A1 (0.77) FFAR1ALDH1A1KEAP1FFAR4MMP12
SCHEMBL12126626 0.86 ALDH1A1 (0.61) FFAR1ALDH1A1RXRARXRBRXRG
SCHEMBL10912165 0.85 ALDH1A1 (0.77) FFAR1ALDH1A1KEAP1FFAR4HSD17B10
SCHEMBL26604271 0.85 RARB (0.64) FFAR1ALDH1A1RXRARXRBHSD17B10
SCHEMBL23512465 0.84 FFAR1 (0.71) FFAR1ALDH1A1RXRARXRBRXRG
SCHEMBL1510710 0.84 FFAR1 (0.71) FFAR1ALDH1A1RXRARXRBRXRG
SCHEMBL1211561 0.83 FFAR1 (1.00) FFAR1RXRARXRBRXRGKEAP1
SCHEMBL8618654 0.83 FFAR1 (1.00) FFAR1RXRARXRBRXRGKEAP1

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
EP-1408986-B1 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2008-09-24 EP disclosed