SCHEMBL29266604

SCHEMBL29266604

CC1(C)OB(c2ccc(F)c(N3CCOCC3)c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.42
LIPG Q9Y5X9 2/20 0.42
ALDH1A1 P00352 5/20 0.41
ROCK1 Q13464 1/20 0.40
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
NPC1 O15118 2/20 0.37
LGMN Q99538 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 3/20 0.36
KCNQ2 O43526 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CASP1 P29466 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 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
SCHEMBL29508091 0.89 ALDH1A1 (0.46) LPLLIPGALDH1A1ROCK1HPGD
SCHEMBL13718438 0.89 ALDH1A1 (0.46) LPLLIPGALDH1A1ROCK1HPGD
SCHEMBL14243487 0.89 LPL (0.44) LPLLIPGALDH1A1ROCK1HPGD
SCHEMBL30988471 0.89 LPL (0.44) LPLLIPGALDH1A1ROCK1HPGD
SCHEMBL27250550 0.83 LPL (0.39) LPLLIPGROCK1IDO1TDO2
SCHEMBL30925336 0.83 LPL (0.39) LPLLIPGROCK1IDO1TDO2
SCHEMBL790296 0.82 ALDH1A1 (0.43) LPLLIPGALDH1A1HPGDSMN1; SMN2
SCHEMBL13717675 0.82 MAPT (0.51) ALDH1A1HPGDSMN1; SMN2LMNANPC1
SCHEMBL17102336 0.80 NOTUM (0.46) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL21385308 0.80 ALDH1A1 (0.45) LPLLIPGALDH1A1SMN1; SMN2LMNA

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-118290386-A 7-Hydroxyflavone compound, and preparation method and application thereof 国科大杭州高等研究院 2024-07-05 CN disclosed