SCHEMBL6239647

SCHEMBL6239647

COc1ccccc1-c1ccccc1COc1ccc(CC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.61
FFAR1 O14842 15/20 0.57
FFAR4 Q5NUL3 12/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
PTGER4 P35408 1/20 0.53
ESR1 P03372 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
VDR P11473 1/20 0.49
RXRA P19793 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ESR2 Q92731 1/20 0.49

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
SCHEMBL6857028 0.89 L3MBTL1 (0.62) PPARDFFAR1FFAR4L3MBTL1PTGER4
SCHEMBL6239053 0.82 FFAR1 (0.75) FFAR1FFAR4PTGER4
SCHEMBL6241283 0.80 FFAR4 (0.78) FFAR1FFAR4
SCHEMBL6237904 0.79 FFAR1 (0.57) FFAR1FFAR4
SCHEMBL6239954 0.79 NR1H4 (0.56) FFAR1FFAR4THRATHRB
SCHEMBL6237724 0.78 MAOB (0.64) PPARDFFAR1FFAR4PTGER4THRA
SCHEMBL6963905 0.78 L3MBTL1 (0.73) FFAR1L3MBTL1RXRA
SCHEMBL4207640 0.78 SLC13A5 (0.60) PPARDFFAR1PTGER4RXRAPPARG
SCHEMBL5204454 0.77 PTGDR2 (0.53)
SCHEMBL28141293 0.76 AKR1B1 (0.58) FFAR1FFAR4

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
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed