SCHEMBL14066660

SCHEMBL14066660

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

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.87
KEAP1 Q14145 1/20 0.70
RXRA P19793 1/20 0.65
RXRB P28702 1/20 0.65
RXRG P48443 1/20 0.65
FFAR4 Q5NUL3 4/20 0.62
MMP12 P39900 1/20 0.62
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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 1.00 FFAR1 (0.87) FFAR1KEAP1RXRARXRBRXRG
SCHEMBL8618654 0.93 FFAR1 (1.00) FFAR1KEAP1RXRARXRBRXRG
SCHEMBL1211561 0.93 FFAR1 (1.00) FFAR1KEAP1RXRARXRBRXRG
SCHEMBL69746 0.92 FFAR1 (0.81) FFAR1KEAP1FFAR4CA1CA2
Hydrochloric Acid SCHEMBL5753893 0.91 FFAR1 (0.96) FFAR1KEAP1RXRARXRBRXRG
SCHEMBL3293457 0.91 FFAR1 (0.74) FFAR1KEAP1RXRARXRBRXRG
SCHEMBL7630944 0.91 FFAR1 (0.96) FFAR1KEAP1RXRARXRBRXRG
Hydrochloric Acid SCHEMBL25264643 0.90 FFAR1 (0.77) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL8339608 0.89 FFAR1 (0.71) FFAR1KEAP1RXRARXRBRXRG
SCHEMBL23512465 0.89 FFAR1 (0.71) FFAR1KEAP1RXRARXRBRXRG

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