SCHEMBL28367268

SCHEMBL28367268

CCCCC(CC)C(O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.47
ALDH1A1 P00352 3/20 0.42
CA2 P00918 7/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 4/20 0.38
TDP1 Q9NUW8 1/20 0.37
DNM1 Q05193 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
Adipic Acid SCHEMBL10797195 0.84 AKR1B1 (0.54) ALDH1A1TDP1TSHR
Cadaverine Tartrate SCHEMBL10797230 0.84 CA2 (0.47) FDPSCA2MAPK1CA1TSHR
Lactic Acid SCHEMBL10792873 0.84 CA2 (0.47) FDPSCA2MAPK1CA1
SCHEMBL854931 0.82 ALDH1A1 (0.35) FDPSALDH1A1TSHRSMN1; SMN2
SCHEMBL5137741 0.82 FDPS (0.45) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL29176608 0.82 FDPS (0.61) FDPSCA2DNM1TSHR
SCHEMBL10242782 0.82 FDPS (0.45) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL30407916 0.82 FDPS (0.61) FDPSCA2DNM1TSHR
SCHEMBL17559999 0.80 FDPS (0.44) FDPSALDH1A1CA2MAPK1CA1
SCHEMBL5483323 0.80 FDPS (0.44) FDPSALDH1A1CA2MAPK1CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166213-A Bee venom purification method including virus removal process and composition for preventing or treating inflammatory disease using the same 友生物工程株式会社 2021-07-23 CN disclosed
CN-110944644-A Anti-inflammatory composition comprising novel quercetin compounds 株式会社爱茉莉太平洋 2020-03-31 CN disclosed
CN-110913833-A Whitening composition comprising novel quercetin compounds 株式会社爱茉莉太平洋 2020-03-24 CN disclosed