SCHEMBL30697476

SCHEMBL30697476

CC=CCCCCCCCCCCCCCCC[C@@H](O)C[C@@H](O)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.50
CYP3A4 P08684 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
DGKA P23743 1/20 0.39
PDCD4 Q53EL6 3/20 0.35
FAAH O00519 4/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GMNN O75496 2/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 2/20 0.34
POLB P06746 2/20 0.34
THRB P10828 2/20 0.34
CETP P11597 2/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL11333970 0.90 FFAR1 (0.42) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL30063885 0.84 USP2 (0.49) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL7122504 0.82 THRB (0.40) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL7122498 0.82 THRB (0.40) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL30063872 0.80 USP2 (0.56) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL30063887 0.80 FAAH (0.52) ALDH1A1FFAR1FFAR4DGKAPDCD4
SCHEMBL17693677 0.80 FAAH (0.52) ALDH1A1FFAR1FFAR4DGKAPDCD4
SCHEMBL30697472 0.80 FAAH (0.52) ALDH1A1FFAR1FFAR4DGKAPDCD4
SCHEMBL30774404 0.79 FFAR1 (0.46) CYP3A4FFAR1FFAR4FAAHMEN1
SCHEMBL11855515 0.78 MAPT (0.42) USP2CYP3A4SMN1; SMN2MAPTALDH1A1

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