SCHEMBL30697472

SCHEMBL30697472

CCCCCCC=CCC=CCCCCCCC[C@@H](O)C[C@@H](O)CO

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.52
ALDH1A1 P00352 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
PDCD4 Q53EL6 3/20 0.48
DGKA P23743 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
DUSP3 P51452 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
SCHEMBL17693677 1.00 FAAH (0.52) FAAHALDH1A1CNR1CNR2FFAR1
SCHEMBL30063887 1.00 FAAH (0.52) FAAHALDH1A1CNR1CNR2FFAR1
SCHEMBL14762287 0.93 FFAR1 (0.54) ALDH1A1FFAR1FFAR4PDCD4NFKB1
SCHEMBL14762285 0.93 FFAR1 (0.54) ALDH1A1FFAR1FFAR4PDCD4NFKB1
SCHEMBL12186743 0.86 FFAR1 (0.57) ALDH1A1FFAR1FFAR4NFKB1NFKB2
SCHEMBL6037208 0.86 FFAR1 (0.57) ALDH1A1FFAR1FFAR4NFKB1NFKB2
SCHEMBL20603893 0.86 FFAR1 (0.57) ALDH1A1FFAR1FFAR4NFKB1NFKB2
SCHEMBL21197440 0.86 FFAR1 (0.57) ALDH1A1FFAR1FFAR4NFKB1NFKB2
SCHEMBL15317873 0.86 FFAR1 (0.57) ALDH1A1FFAR1FFAR4NFKB1NFKB2
SCHEMBL17743830 0.86 FFAR1 (0.57) ALDH1A1FFAR1FFAR4NFKB1NFKB2

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-117255622-A Deacetylation method, composition and use thereof 弗门尼舍有限公司 2023-12-19 CN disclosed