SCHEMBL4444443

SCHEMBL4444443

CCCCC[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.51
CYP2C19 P33261 1/20 0.49
ASAH1 Q13510 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ACER2 Q5QJU3 1/20 0.48
NAAA Q02083 2/20 0.47
POLB P06746 1/20 0.47
CNR2 P34972 1/20 0.47
MME P08473 1/20 0.46
GPR84 Q9NQS5 3/20 0.46
LMNA P02545 1/20 0.46
FFAR1 O14842 1/20 0.46

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
SCHEMBL1911433 1.00 TBXAS1 (0.51) TBXAS1CYP2C19ASAH1ALDH1A1ACER2
SCHEMBL2555641 0.98 TBXAS1 (0.54) TBXAS1CYP2C19ASAH1ALDH1A1ACER2
SCHEMBL1290373 0.98 TBXAS1 (0.54) TBXAS1CYP2C19ASAH1ALDH1A1ACER2
SCHEMBL2548840 0.98 TBXAS1 (0.54) TBXAS1CYP2C19ASAH1ALDH1A1ACER2
SCHEMBL2552649 0.98 TBXAS1 (0.54) TBXAS1CYP2C19ASAH1ALDH1A1ACER2
SCHEMBL2554332 0.98 TBXAS1 (0.54) TBXAS1CYP2C19ASAH1ALDH1A1ACER2
SCHEMBL1518057 0.98 TBXAS1 (0.54) TBXAS1CYP2C19ASAH1ALDH1A1ACER2
SCHEMBL2552091 0.98 TBXAS1 (0.54) TBXAS1CYP2C19ASAH1ALDH1A1ACER2
SCHEMBL2550963 0.98 TBXAS1 (0.54) TBXAS1CYP2C19ASAH1ALDH1A1ACER2
SCHEMBL2551104 0.98 TBXAS1 (0.54) TBXAS1CYP2C19ASAH1ALDH1A1ACER2

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-2126065-A2 ISOFORMS OF PIG LIVER ESTERASE Evonik Degussa GmbH (DE) 2009-12-02 EP disclosed
WO-2008116745-A2 ISOFORMS OF PIG LIVER ESTERASE EVONIK DEGUSSA GMBH (DE) 2008-10-02 WO disclosed