SCHEMBL4778982

SCHEMBL4778982

CCc1cc(OC)cc2[nH]c(-c3ccc(OCC(=O)OC(C)(C)C)cc3)c(C#N)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
GPR119 Q8TDV5 1/20 0.35
MAPT P10636 5/20 0.35
POLB P06746 2/20 0.35
PTPN1 P18031 2/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL4779864 0.81 NOX1 (0.41) MAPTCLK1CLK2DYRK1ACLK4
SCHEMBL4774067 0.80 RXRA (0.44) MAPTPOLBKDM4EHPGDGRIA2
SCHEMBL4774637 0.76 KCNQ2 (0.48) MAPTKDM4EHPGDMEN1ALDH1A1
SCHEMBL4879715 0.74 PIM1 (0.44) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL4776292 0.72 PDE10A (0.38) MAPTKDM4EHPGDALDH1A1LMNA
SCHEMBL4773204 0.70 CHEK2 (0.38)
SCHEMBL8410195 0.70 MMP2 (0.52) MAPTPOLBPTPN1KDM4EHPGD
SCHEMBL4773901 0.70 KCNQ2 (0.41) MAPTKDM4EHPGDMEN1ALDH1A1
SCHEMBL8590356 0.70 TUBB4A (0.48) MAPTKDM4EHPGDMEN1ALDH1A1
SCHEMBL980519 0.69 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 EP disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 WO disclosed