SCHEMBL9724916

SCHEMBL9724916

Cc1ccccc1COC(=O)CC(=O)OCc1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAOB P27338 2/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ADORA2A P29274 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
GRIN2B Q13224 1/20 0.43
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
FPR2 P25090 1/20 0.42
CTBP2 P56545 1/20 0.42

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
SCHEMBL9660152 0.91 MAOB (0.50) L3MBTL1MAOBALDH1A1MAPTLMNA
SCHEMBL14893201 0.89 MAOB (0.50) L3MBTL1MAOBALDH1A1MAPTLMNA
SCHEMBL3849886 0.87 ALDH1A1 (0.54) L3MBTL1MAOBALDH1A1MAPTLMNA
SCHEMBL28106122 0.85 L3MBTL1 (0.48) L3MBTL1MAOBALDH1A1MAPTLMNA
SCHEMBL9818570 0.85 GAA (0.45) L3MBTL1ALDH1A1MAPTLMNANPC1
SCHEMBL19181 0.85 CYP4F2 (0.54) L3MBTL1MAOBALDH1A1MAPTKDM4E
SCHEMBL4953662 0.85 MAOB (0.47) L3MBTL1MAOBALDH1A1MAPTLMNA
SCHEMBL8211971 0.84 MAOB (0.53) L3MBTL1MAOBALDH1A1MAPTLMNA
SCHEMBL6668853 0.84 MAOB (0.53) L3MBTL1MAOBALDH1A1MAPTLMNA
SCHEMBL23135796 0.84 KDM4E (0.56) L3MBTL1MAOBALDH1A1MAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486887-A Polycyclic pyrimidine-4-ketone compound and preparation method and application thereof 昆明学院 2024-02-02 CN disclosed
US-5149692-A Hypotensive agents, congestive heart failure WARNER-LAMBERT COMPANY (US) 1992-09-22 US disclosed