SCHEMBL29935228

SCHEMBL29935228

C=C(C)[C@@H]1CC(=O)[C@H]2C[C@@H](O)C[C@@H](C)[C@]2(C)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
NPC1L1 Q9UHC9 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 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
1,10-Dihydronootkatone SCHEMBL20608607 0.63 CYP2C19 (0.44) CYP2C19ALDH1A1MEN1KMT2A
1,10-Dihydronootkatone SCHEMBL23954040 0.63 CYP2C19 (0.44) CYP2C19ALDH1A1MEN1KMT2A
1,10-Dihydronootkatone SCHEMBL29635345 0.63 CYP2C19 (0.44) CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL18031731 0.62 ALDH1A1 (0.38) CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL12265748 0.62 ALDH1A1 (0.38) CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL24483638 0.61 CYP2C19 (0.36) CYP2C19ALDH1A1MEN1KMT2ALMNA
SCHEMBL8467058 0.60 ALDH1A1 (0.37) CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL28682218 0.60 ALDH1A1 (0.37) CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL408672 0.60 CYP2C19 (0.47) CYP2C19ALDH1A1MEN1KMT2ALMNA
Dihydrocarvone SCHEMBL2562033 0.59 KMT2A (0.39) CYP2C19ALDH1A1MEN1KMT2ALMNA

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
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 US disclosed