SCHEMBL13680506

SCHEMBL13680506

COC(=O)c1ccc(-c2ccc(C)o2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.51
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
PLIN1 O60240 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
PLIN5 Q00G26 1/20 0.42
MCL1 Q07820 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.41
APP P05067 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 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
SCHEMBL13680568 0.83 P4HTM (0.44) MAPK1GSK3BKDM4EALDH1A1LMNA
SCHEMBL20339324 0.82 ALDH1A1 (0.51) MAPK1DYRK1AKDM4EHPGDALDH1A1
SCHEMBL20339971 0.78 MAPK1 (0.43) MAPK1DYRK1AKDM4EHPGDALDH1A1
SCHEMBL13680898 0.77 MAPK1 (0.43) MAPK1DYRK1AKDM4EHPGDALDH1A1
SCHEMBL27176217 0.77 AXL (0.58) MAPK1DYRK1AKDM4EHPGDALDH1A1
SCHEMBL5655892 0.76 GSK3B (0.64) GSK3BKDM4EHPGDALDH1A1POLB
SCHEMBL29248979 0.75 ALOX15 (0.56) MAPK1KDM4EHPGDALDH1A1LMNA
SCHEMBL13680716 0.73 MAPT (0.39) MAPK1GSK3BKDM4EHPGDPLIN1
SCHEMBL2037294 0.73 MAPK1 (0.59) MAPK1DYRK1AKDM4EHPGDL3MBTL1
SCHEMBL11041168 0.73 MAPK1 (0.59) MAPK1DYRK1AKDM4ETDP1L3MBTL1

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed