SCHEMBL10281189

SCHEMBL10281189

CC(C)(C)OC(=O)Nc1ccc(C2CCC(=O)C2c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
MAOB P27338 2/20 0.46
BCL2 P10415 7/20 0.44
LIPE Q05469 1/20 0.43
BECN1 Q14457 4/20 0.43
SLC10A2 Q12908 1/20 0.42
DRD2 P14416 1/20 0.41
NAMPT P43490 2/20 0.40
MAOA P21397 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
RORC P51449 1/20 0.39
NPY1R P25929 1/20 0.39
PSMB8 P28062 1/20 0.39

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
SCHEMBL10006033 0.90 PTGER2 (0.41) LIPENAMPTBRD4CREBBPPSMB8
SCHEMBL10281527 0.78 KDM1A (0.46) KDM1AMAOBBCL2LIPEBECN1
SCHEMBL9939438 0.77 PTGER2 (0.47)
SCHEMBL10298879 0.74 BCL2 (0.44) KDM1AMAOBBCL2BECN1SLC10A2
SCHEMBL612556 0.74 ESR2 (0.47) LIPEDRD2NAMPTBRD4CREBBP
SCHEMBL34466750 0.74 FFAR1 (0.46) KDM1AMAOBMAOA
SCHEMBL10281197 0.73 MAOB (0.41) KDM1AMAOBBCL2BECN1SLC10A2
SCHEMBL21148556 0.73 BRD4 (0.47) KDM1ALIPEDRD2NAMPTBRD4
SCHEMBL775002 0.73 NAMPT (0.56) LIPEDRD2NAMPTPSMB8
SCHEMBL10298882 0.72 SLC6A3 (0.41) MAOB

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
WO-2012083170-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed