SCHEMBL4725248

SCHEMBL4725248

COC(=O)c1cc(OCCCn2c3ccccc3c3ccccc32)cc(C(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 1/20 0.52
PSEN1 P49768 5/20 0.50
PSEN2 P49810 5/20 0.50
APH1B Q8WW43 5/20 0.50
NCSTN Q92542 5/20 0.50
APH1A Q96BI3 5/20 0.50
PSENEN Q9NZ42 5/20 0.50
CNR2 P34972 4/20 0.49
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FABP4 P15090 2/20 0.47
FABP5 Q01469 2/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL350674 0.94 PSEN1 (0.52) SCARB1PSEN1PSEN2APH1BNCSTN
SCHEMBL19559314 0.88 MAPT (0.61) SCARB1PSEN1PSEN2APH1BNCSTN
SCHEMBL4151119 0.87 PSEN1 (0.47) SCARB1PSEN1PSEN2APH1BNCSTN
SCHEMBL4155967 0.85 MAPT (0.59) SCARB1PSEN1PSEN2APH1BNCSTN
SCHEMBL4725252 0.83 CNR2 (0.53) SCARB1PSEN1PSEN2APH1BNCSTN
SCHEMBL2875809 0.81 SCARB1 (0.49) SCARB1PSEN1PSEN2APH1BNCSTN
SCHEMBL3932512 0.81 CNR2 (0.59) SCARB1PSEN1PSEN2APH1BNCSTN
SCHEMBL2872778 0.81 PSEN1 (0.43) SCARB1PSEN1PSEN2APH1BNCSTN
SCHEMBL4727503 0.81 SCARB1 (0.53) SCARB1PSEN1PSEN2APH1BNCSTN
SCHEMBL13011578 0.79 TSHR (0.56) SCARB1PSEN1PSEN2APH1BNCSTN

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-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed