SCHEMBL30697474

SCHEMBL30697474

C=CCCCCCCCCCCCCC[C@@H](O)C[C@@H](O)CO

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.76
ALDH1A1 P00352 5/20 0.57
CYP3A4 P08684 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 3/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 2/20 0.37
ABCC4 O15439 1/20 0.36
LPAR3 Q9UBY5 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
LMNA P02545 4/20 0.36
RECQL P46063 1/20 0.36
THRB P10828 1/20 0.31
TRPA1 O75762 1/20 0.31

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
Avocadene SCHEMBL1051284 1.00 USP2 (0.76) USP2ALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL31619136 1.00 USP2 (0.76) USP2ALDH1A1CYP3A4SMN1; SMN2MAPT
Avocadene SCHEMBL15191342 1.00 USP2 (0.76) USP2ALDH1A1CYP3A4SMN1; SMN2MAPT
Avocadene SCHEMBL15944388 1.00 USP2 (0.76) USP2ALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL31619135 1.00 USP2 (0.76) USP2ALDH1A1CYP3A4SMN1; SMN2MAPT
Avocadene SCHEMBL30697475 0.90 USP2 (0.64) USP2ALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL10027883 0.90 USP2 (0.62) USP2ALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL4461000 0.90 USP2 (0.62) USP2ALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL4457448 0.90 USP2 (0.62) USP2ALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL3114128 0.90 USP2 (0.62) USP2ALDH1A1CYP3A4SMN1; SMN2MAPT

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