SCHEMBL1551639

SCHEMBL1551639

C#Cc1ccc(C2CC2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.68
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC4 P56524 1/20 0.42
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC9A1 P19634 1/20 0.39

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
SCHEMBL450308 0.82 FFAR1 (0.68) FFAR1HDAC4EPHX2ALDH1A1
SCHEMBL2239420 0.82 FFAR1 (0.68) FFAR1HDAC4EPHX2ALDH1A1
SCHEMBL21501053 0.82 FFAR1 (0.68) FFAR1HDAC4EPHX2ALDH1A1
SCHEMBL16804596 0.82 FFAR1 (0.68) FFAR1HDAC4EPHX2ALDH1A1
SCHEMBL440438 0.82 FFAR1 (0.68) FFAR1HDAC4EPHX2ALDH1A1
SCHEMBL1550764 0.81 FFAR1 (1.00) FFAR1HDAC4EPHX2ALDH1A1SLC9A1
SCHEMBL1550763 0.81 FFAR1 (1.00) FFAR1HDAC4EPHX2ALDH1A1SLC9A1
SCHEMBL6906683 0.80 FFAR1 (0.56) FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL1550250 0.80 SLC6A2 (0.57) FFAR1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL6906686 0.80 FFAR1 (0.56) FFAR1HDAC4ALDH1A1SLC9A1

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
EP-2313360-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES Syddansk Universitet (DK) 2011-04-27 EP disclosed
WO-2010012650-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET (DK) 2010-02-04 WO disclosed