SCHEMBL20162475

SCHEMBL20162475

CC(C)(C)OC(=O)C(N)CCc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
ANPEP P15144 2/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
CYP3A4 P08684 6/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 1/20 0.43
CHRNA7 P36544 1/20 0.43
TBXAS1 P24557 4/20 0.43
KDM4E B2RXH2 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
SLC1A5 Q15758 1/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL30476014 0.86 SLC7A5 (0.46) LTA4HCYP3A4CYP1A2CYP2C9LMNA
SCHEMBL25318441 0.86 SLC7A5 (0.46) LTA4HCYP3A4CYP1A2CYP2C9LMNA
SCHEMBL22445205 0.85 ALDH1A1 (0.47) ANPEPERAP2ERAP1CYP3A4CYP1A2
SCHEMBL2307682 0.83 LTA4H (0.55) LTA4HANPEPERAP2ERAP1
SCHEMBL27878054 0.83 LTA4H (0.55) LTA4HANPEPERAP2ERAP1
SCHEMBL2307679 0.83 LTA4H (0.55) LTA4HANPEPERAP2ERAP1
Hydrochloric Acid SCHEMBL29264506 0.82 LTA4H (0.54) LTA4HANPEPERAP2ERAP1
SCHEMBL8798260 0.82 LTA4H (0.38) LTA4HCYP3A4TBXAS1
SCHEMBL21591549 0.80 LMNA (0.56) CYP3A4LMNA
SCHEMBL19068201 0.79 ANPEP (0.56) ANPEPERAP2ERAP1CYP3A4CYP1A2

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
WO-2018091598-A2 TREATMENT OF NEURODEGENERATIVE DISEASES ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) 2018-05-24 WO disclosed
EP-3323415-A1 TREATMENT OF NEURODEGENERATIVE DISEASES Institut du Cerveau et de la Moelle Epiniere-ICM (FR) 2018-05-23 EP disclosed