SCHEMBL6526847

SCHEMBL6526847

O=C(O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.51
PSEN1 P49768 5/20 0.48
PSEN2 P49810 5/20 0.48
SPPL2A Q8TCT8 5/20 0.48
APH1B Q8WW43 5/20 0.48
NCSTN Q92542 5/20 0.48
APH1A Q96BI3 5/20 0.48
PSENEN Q9NZ42 5/20 0.48
CTSD P07339 3/20 0.46
CTSE P14091 1/20 0.46
PGC P20142 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
MLNR O43193 1/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
CNR1 P21554 1/20 0.43
TBXAS1 P24557 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL11988962 0.88 SPPL2A (0.53) BACE1PSEN1PSEN2SPPL2AAPH1B
SCHEMBL6477686 0.83 CTSD (0.51) CTSDCTSEPGCMLNRABCB11
SCHEMBL2584515 0.81 BACE1 (0.51) BACE1PSEN1PSEN2SPPL2AAPH1B
SCHEMBL4875375 0.77 CTSD (0.52) BACE1CTSDMLNRABCB11LMNA
SCHEMBL4875377 0.77 CTSD (0.52) BACE1CTSDMLNRABCB11LMNA
SCHEMBL4872912 0.77 MLNR (0.44) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL4872903 0.77 MLNR (0.44) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL7430780 0.77 MLNR (0.44) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL7430773 0.77 MLNR (0.44) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL11989439 0.76 SPPL2A (0.48) BACE1PSEN1PSEN2SPPL2AAPH1B

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
JP-3657002-B2 2005-06-08 JP claimed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO claimed