SCHEMBL6770636

SCHEMBL6770636

COc1cccc(-n2nc(CC(C)CC(C)(C)C)c3c2CC(C(C)C)CC3=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.35
SLC5A1 P13866 4/20 0.34
DHODH Q02127 1/20 0.34
MAPT P10636 3/20 0.33
CCR1 P32246 1/20 0.33
MGLL Q99685 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SRC P12931 1/20 0.33
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 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
SCHEMBL6772144 0.90 RIPK2 (0.36) RIPK2SLC5A1MAPTPDE4APDE4B
SCHEMBL6770749 0.89 SRC (0.35) SLC5A1DHODHSRCSMN1; SMN2MEN1
SCHEMBL6772551 0.89 DHODH (0.37) RIPK2DHODHMAPTMGLLPDE4A
SCHEMBL6167945 0.88 DHODH (0.37) DHODHSMN1; SMN2
SCHEMBL6778055 0.84 SRC (0.43) RIPK2MAPTPDE4APDE4BPDE4C
SCHEMBL6766574 0.84 ALDH1A1 (0.39) SLC5A1DHODHMAPTCCR1MGLL
SCHEMBL6766674 0.84 RIPK2 (0.46) RIPK2DHODHMAPTCCR1MGLL
SCHEMBL6771525 0.83 OPRM1 (0.50) SRC
SCHEMBL6771327 0.82 DHODH (0.32) DHODH
SCHEMBL6770505 0.81 OPRM1 (0.46) DHODHMAPTMGLLSRCRAB9A

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
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed