SCHEMBL6239650

SCHEMBL6239650

COc1ccccc1C(Oc1ccc(CC(=O)O)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 2/20 0.43
PTGS1 P23219 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
PPARD Q03181 1/20 0.43
SRD5A2 P31213 2/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL25033296 0.84 SRD5A2 (0.57) FFAR1LMNAPOLBGAAPTGS1
SCHEMBL6239957 0.80 CNR2 (0.51) IDO1TDO2FFAR1SRD5A2PPARG
SCHEMBL6244413 0.79 CYP1A2 (0.47) L3MBTL1FFAR1ALDH1A1LMNAHPGD
SCHEMBL25033297 0.76 KLK7 (0.52) TDP1L3MBTL1ATMFFAR1ALDH1A1
SCHEMBL27662443 0.76 FFAR1 (0.73) FFAR1POLBSRD5A2CNR2
SCHEMBL4565148 0.76 FFAR1 (0.73) FFAR1POLBSRD5A2CNR2
SCHEMBL27662594 0.76 FFAR1 (0.73) FFAR1POLBSRD5A2CNR2
SCHEMBL6236504 0.74 NAPRT (0.51) FFAR1SRD5A2ALOX15
SCHEMBL11490486 0.73 SRD5A2 (0.50) FFAR1LMNAPOLBGAAPTGS1
SCHEMBL7798228 0.72 KDM4E (0.55) TDP1L3MBTL1ATMALDH1A1POLB

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