SCHEMBL4542525

SCHEMBL4542525

CC(Nc1c(NC2CCN(C(=O)OC(C)(C)C)CC2)c(=O)c1=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPT P10636 4/20 0.58
HTT P42858 2/20 0.58
NPC1 O15118 1/20 0.58
MAPK1 P28482 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GPR119 Q8TDV5 2/20 0.48
KDM4E B2RXH2 3/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.45
STS P08842 1/20 0.44
USP30 Q70CQ3 1/20 0.44
GAA P10253 1/20 0.44
P2RX3 P56373 1/20 0.44
USP2 O75604 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.43

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
SCHEMBL4371405 1.00 ALDH1A1 (0.58) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL14342621 0.80 L3MBTL1 (0.57) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL5521359 0.80 L3MBTL1 (0.57) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL14978794 0.80 L3MBTL1 (0.57) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL2709640 0.78 ALDH1A1 (0.74) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL27022359 0.78 RECQL (0.61) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL27093580 0.76 CKS1B (0.48) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL24621773 0.75 GPR119 (0.60) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL7476905 0.75 ALDH1A1 (0.56) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL15270418 0.75 ALDH1A1 (0.56) ALDH1A1MAPTHTTNPC1MAPK1

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-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed