SCHEMBL8337209

SCHEMBL8337209

COc1cc(C(CC(=O)O)CC(=O)O)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
FFAR1 O14842 3/20 0.48
POLB P06746 2/20 0.48
TNF P01375 1/20 0.44
CTSA P10619 2/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3659654 0.94 GAA (0.56) GAAFFAR1POLBTNF
SCHEMBL3655663 0.94 GAA (0.56) GAAFFAR1POLBTNF
SCHEMBL2499134 0.90 GAA (0.52) GAAFFAR1POLB
SCHEMBL2497911 0.90 GAA (0.52) GAAFFAR1POLB
SCHEMBL20379539 0.88 FFAR1 (0.57) GAAFFAR1POLBTNFCTSA
SCHEMBL2499131 0.81 PDE4A (0.47) GAATNF
SCHEMBL2497909 0.81 PDE4A (0.47) GAATNF
SCHEMBL16319202 0.80 FFAR1 (0.52) FFAR1
SCHEMBL20379832 0.80 FFAR1 (0.51) GAAFFAR1POLBCTSA
SCHEMBL20379833 0.80 FFAR1 (0.51) GAAFFAR1POLBCTSA

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-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed