SCHEMBL13409358

SCHEMBL13409358

CC(C)Oc1ncc(Cl)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ATM Q13315 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
PLAU P00749 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 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
SCHEMBL13409308 0.80 ALDH1A1 (0.42) MAPTATML3MBTL1ALDH1A1KDM4E
SCHEMBL8272616 0.79 ALDH1A1 (0.54) MAPTALDH1A1KDM4EPOLBPLAU
SCHEMBL13409336 0.79 ATM (0.44) MAPTATML3MBTL1ALDH1A1KDM4E
SCHEMBL13409352 0.78 PLAU (0.40) MAPTATMALDH1A1KDM4EPOLB
SCHEMBL13409304 0.77 TRPM8 (0.51) MAPTATML3MBTL1ALDH1A1KDM4E
SCHEMBL15473241 0.74 ALDH1A1 (0.42) MAPTL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL18101002 0.73 ALDH1A1 (0.48) MAPTL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL1688224 0.73 ALDH1A1 (0.45) MAPTATML3MBTL1ALDH1A1KDM4E
SCHEMBL12967947 0.72 TP53 (0.47) MAPTL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL12958279 0.70 ALDH1A1 (0.39) MAPTL3MBTL1ALDH1A1KDM4EPOLB

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-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed