SCHEMBL8915974

SCHEMBL8915974

CCCCCC(=O)OCC(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
MAPT P10636 6/20 0.52
MGLL Q99685 2/20 0.49
HTR2A P28223 1/20 0.47
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL31112730 0.89 MAPT (0.54) BCL9CTNNB1MAPTMGLLALDH1A1
SCHEMBL21465372 0.85 ALDH1A1 (0.57) BCL9CTNNB1MAPTMGLLALDH1A1
SCHEMBL21465370 0.85 ALDH1A1 (0.57) BCL9CTNNB1MAPTMGLLALDH1A1
SCHEMBL27355874 0.84 HTR2A (0.60) BCL9CTNNB1MAPTMGLLHTR2A
SCHEMBL6395955 0.83 BCL9 (0.60) BCL9CTNNB1MAPTMGLLHTR2A
SCHEMBL22749537 0.83 MAPT (0.49) BCL9CTNNB1MAPTMGLLHTR2A
SCHEMBL22749460 0.83 MAPT (0.49) BCL9CTNNB1MAPTMGLLHTR2A
SCHEMBL13226733 0.83 ALDH1A1 (0.51) BCL9CTNNB1MAPTMGLLHTR2A
SCHEMBL29829117 0.83 MAPT (0.48) BCL9CTNNB1MAPTMGLLHTR2A
SCHEMBL22749516 0.83 MAPT (0.48) BCL9CTNNB1MAPTMGLLHTR2A

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
US-5684018-A Acyloxyisopropyl carbamates as prodrugs for amine drugs MERCK & CO., INC. (US) 1997-11-04 US disclosed
WO-1996018605-A1 ACYLOXYISOPROPYL CARBAMATES AS PRODRUGS FOR AMINE DRUGS MERCK & CO., INC. (US) 1996-06-20 WO disclosed