SCHEMBL28204705

SCHEMBL28204705

CCC(=O)OC(=O)/C=C(/C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.32
FFAR3 O14843 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL17763309 1.00 CYP2C9 (0.33) CYP2C9ALDH1A1FFAR3TDP1HCAR2
SCHEMBL17763308 0.83 NPSR1 (0.33) ALDH1A1TDP1
SCHEMBL2780872 0.77
SCHEMBL6653827 0.77 HCAR2 (0.36) CYP2C9ALDH1A1HCAR2
SCHEMBL28558910 0.76 CYP2C9 (0.31) CYP2C9
SCHEMBL11060879 0.76 CYP2C9 (0.31) CYP2C9
SCHEMBL10971540 0.76 NPSR1 (0.54) CYP2C9ALDH1A1HCAR2
SCHEMBL21114351 0.76 MEN1 (0.31) CYP2C9
SCHEMBL598484 0.76 NPSR1 (0.54) CYP2C9ALDH1A1HCAR2
SCHEMBL10971539 0.76 NPSR1 (0.54) CYP2C9ALDH1A1HCAR2

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
CN-102869774-B Composition for targeted delivery siRNA 箭头研究公司 2018-02-09 CN disclosed