SCHEMBL6239626

SCHEMBL6239626

Cc1cc(Br)ccc1COc1ccc(CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
PPARD Q03181 1/20 0.49
MAOB P27338 3/20 0.49
FFAR1 O14842 4/20 0.48
FFAR4 Q5NUL3 4/20 0.48
SRD5A2 P31213 1/20 0.48
RXRA P19793 3/20 0.47
RXRB P28702 2/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
PTGER4 P35408 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
RXRG P48443 1/20 0.44

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
SCHEMBL6237392 0.84 NPC1 (0.50) PPARDMAOBFFAR1FFAR4SRD5A2
SCHEMBL6237724 0.80 MAOB (0.64) PPARDMAOBFFAR1FFAR4PTGER4
SCHEMBL9659998 0.79 FFAR1 (0.71) PPARDMAOBFFAR1FFAR4SRD5A2
SCHEMBL14966760 0.79 MAOB (0.49) MAOBPTGER4KDM5AKDM4CKDM5B
SCHEMBL5985 0.77 RXRA (0.51) PTGDR2RXRARXRBKDM5AKDM4C
SCHEMBL30354629 0.77 RXRA (0.51) PTGDR2RXRARXRBKDM5AKDM4C
SCHEMBL15978831 0.76 ESR1 (0.42) PTGDR2MAOBKDM5AKDM4CKDM5B
SCHEMBL23040922 0.74 MAOB (0.51) MAOB
SCHEMBL10567764 0.74 FFAR1 (0.53) MAOBFFAR1FFAR4
SCHEMBL30039160 0.74 MAOB (0.51) MAOB

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