SCHEMBL6239019

SCHEMBL6239019

O=C(O)Cc1ccc(OC(CC(F)(F)F)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.47
SRD5A2 P31213 1/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
FFAR1 O14842 1/20 0.44
KCNK2 O95069 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1C Q13936 1/20 0.44
ALOX15 P16050 1/20 0.43
AKR1B1 P15121 1/20 0.43
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42
SLC7A5 Q01650 5/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL8332028 0.81 AKR1B1 (0.52) SRD5A2FFAR1AKR1B1
SCHEMBL32660768 0.79 SLC6A2 (0.58) SLC6A9SRD5A2SLC6A4SLC6A2SLC6A3
SCHEMBL25033296 0.77 SRD5A2 (0.57) SRD5A2FFAR1ALOX15AKR1B1ABCC4
SCHEMBL6976977 0.76 FFAR1 (0.43) SLC6A9SRD5A2SLC6A4FFAR1ALOX15
SCHEMBL32660758 0.76 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL32660765 0.76 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL32660760 0.76 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL4565148 0.75 FFAR1 (0.73) SRD5A2FFAR1AKR1B1
SCHEMBL11490486 0.75 SRD5A2 (0.50) SRD5A2FFAR1ALOX15AKR1B1ABCC4
SCHEMBL27662594 0.75 FFAR1 (0.73) SRD5A2FFAR1AKR1B1

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