SCHEMBL28601685

SCHEMBL28601685

CCO[PH](=O)CCc1ccccc1OCCOC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
PPARD Q03181 1/20 0.39
BRD4 O60885 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL23881789 0.81 L3MBTL1 (0.49) L3MBTL1MAPTNPSR1KDM4EHPGD
SCHEMBL28608563 0.81 HTR1A (0.56) L3MBTL1MAPTNPSR1TDP1
SCHEMBL27516005 0.77 PPARD (0.54) L3MBTL1MAPTNPSR1KDM4EHPGD
SCHEMBL8404955 0.77 L3MBTL1 (0.72) L3MBTL1MAPTNPSR1KDM4EHPGD
SCHEMBL31360878 0.77 L3MBTL1 (0.72) L3MBTL1MAPTNPSR1KDM4EHPGD
SCHEMBL11407644 0.76 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1KDM4EHPGD
SCHEMBL26698909 0.74 L3MBTL1 (0.54) L3MBTL1MAPTNPSR1KDM4EATM
SCHEMBL14972584 0.73 PPARD (0.50) L3MBTL1MAPTNPSR1KDM4EHPGD
SCHEMBL24615167 0.73 L3MBTL1 (0.66) L3MBTL1MAPTNPSR1KDM4EHPGD
SCHEMBL31360836 0.73 L3MBTL1 (0.66) L3MBTL1MAPTNPSR1KDM4EHPGD

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-113166182-A Aminopeptidase A inhibitor and pharmaceutical composition comprising the same 量子基因公司 2021-07-23 CN disclosed