SCHEMBL5035271

SCHEMBL5035271

CCN(CC)C(=O)Oc1c(C(O)C=Cc2ccccc2)ccn2c(C)c(C)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 3/20 0.34
MAOA P21397 1/20 0.34
TSPO P30536 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 3/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
XIAP P98170 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL5035431 1.00 ATP4A (0.40) ATP4AATP4BNPC1L3MBTL1MAOB
SCHEMBL5035441 0.81 MAOB (0.48) ATP4AATP4BNPC1L3MBTL1MAOB
SCHEMBL5035442 0.81 MAOB (0.48) ATP4AATP4BNPC1L3MBTL1MAOB
SCHEMBL6808993 0.72 ATP4A (0.42) ATP4AATP4BKDM4ELMNAENPP3
SCHEMBL5032878 0.70 TSHR (0.38) ATP4AATP4BNPC1TSPOLMNA
SCHEMBL5041735 0.70 CYP1A2 (0.50) ATP4AATP4BNPC1L3MBTL1KDM4E
SCHEMBL2193767 0.59 ATP4A (1.00) ATP4AATP4BNPC1L3MBTL1KDM4E
SCHEMBL18746276 0.59 KDM4E (0.46) NPC1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL10915906 0.59 ATP4A (1.00) ATP4AATP4BNPC1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL10919197 0.58 ATP4A (0.97) ATP4AATP4BNPC1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984969-B1 FUSED DIHYDROPYRANS NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-6160119-A Fused dihydropyrans BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-12-12 US disclosed
EP-0984969-A1 FUSED DIHYDROPYRANS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-03-15 EP disclosed
WO-1998054188-A1 FUSED DIHYDROPYRANS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-12-03 WO disclosed