SCHEMBL4725252

SCHEMBL4725252

CCOC(=O)c1cc(OCCCn2c3ccccc3c3ccccc32)cc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.53
SCARB1 Q8WTV0 1/20 0.50
PSEN1 P49768 5/20 0.49
PSEN2 P49810 5/20 0.49
APH1B Q8WW43 5/20 0.49
NCSTN Q92542 5/20 0.49
APH1A Q96BI3 5/20 0.49
PSENEN Q9NZ42 5/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
PTGER4 P35408 2/20 0.48
PLA2G2A P14555 1/20 0.48
MCL1 Q07820 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
PIN1 Q13526 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 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
SCHEMBL4725248 0.83 SCARB1 (0.52) CNR2SCARB1PSEN1PSEN2APH1B
SCHEMBL351636 0.83 FABP4 (0.55) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL4727510 0.81 SCARB1 (0.53) CNR2SCARB1PSEN1PSEN2APH1B
SCHEMBL27998551 0.78 CNR2 (0.51) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2771704 0.78 PLA2G2A (0.65) PLA2G2A
SCHEMBL350674 0.78 PSEN1 (0.52) CNR2SCARB1PSEN1PSEN2APH1B
SCHEMBL4160672 0.77 MEN1 (0.56) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL4726707 0.76 SCARB1 (0.66) CNR2SCARB1ALDH1A1HPGDPTGER4
SCHEMBL4727671 0.76 PLA2G2A (0.54) PLA2G2A
SCHEMBL5561218 0.76 PLA2G2A (0.75) PLA2G2A

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