SCHEMBL6589700

SCHEMBL6589700

C[C@@H](CC(N)=O)CC(=O)N(C1CCCNCC1O)S(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNA5 P22460 1/20 0.34
SLC6A2 P23975 11/20 0.33
SLC6A4 P31645 11/20 0.33
KCNH2 Q12809 4/20 0.32
SLC6A3 Q01959 4/20 0.32
CYP2D6 P10635 3/20 0.32
RPLP1 P05386 1/20 0.32
RPLP0 P05388 1/20 0.32
RPS17 P08708 1/20 0.32
RPSA P08865 1/20 0.32
RPS2 P15880 1/20 0.32
RPL35A P18077 1/20 0.32
RPL7 P18124 1/20 0.32
RPL17 P18621 1/20 0.32
RPS4Y1 P22090 1/20 0.32

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
SCHEMBL6590713 0.90 PSEN1 (0.31) ALDH1A1SLC6A2SLC6A4
SCHEMBL7428571 0.86 RPLP1 (0.33) KCNH2RPLP1RPLP0RPS17RPSA
SCHEMBL6586366 0.83 SLC6A2 (0.31) SLC6A2SLC6A4
SCHEMBL4763307 0.82 PSEN1 (0.32) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4765027 0.80 CTSD (0.45) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL6590138 0.80 KMT2A (0.38) KMT2ASLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6589694 0.79 SIGMAR1 (0.34) SIGMAR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL6589570 0.78
SCHEMBL6594374 0.74 RPLP1 (0.39) KCNH2RPLP1RPLP0RPS17RPSA
SCHEMBL6590526 0.73 REN (0.32) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed