SCHEMBL8095993

SCHEMBL8095993

CCC(O)C(=O)O.c1cc2ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
PTGS2 P35354 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
GPR84 Q9NQS5 3/20 0.40
OR51E2 Q9H255 1/20 0.40
FFAR1 O14842 1/20 0.40
MME P08473 4/20 0.40
ACE P12821 4/20 0.40
HPGD P15428 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 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
Benzene SCHEMBL27962211 0.85 OR51E2 (0.48) SMN1; SMN2GPR84OR51E2FFAR1
SCHEMBL6963 0.84
SCHEMBL15717118 0.84 OR51E2 (0.53) SMN1; SMN2GPR84OR51E2FFAR1
SCHEMBL264859 0.84
SCHEMBL15355768 0.84
SCHEMBL193026 0.84
SCHEMBL2483565 0.82
SCHEMBL11666742 0.82
SCHEMBL19434139 0.82
Bicarbonate SCHEMBL21899730 0.82 OR51E2 (0.50) SMN1; SMN2GPR84OR51E2FFAR1

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
EP-0666320-B1 Process for producing alpha-hydroxy acid or alpha-hydroxyamide by microorganisms MITSUBISHI RAYON CO (JP) 2000-12-20 EP disclosed