SCHEMBL6589960

SCHEMBL6589960

CC[C@H](C)CCCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
TP53 P04637 1/20 0.38
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
ENPEP Q07075 4/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
EPHX2 P34913 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2680846 1.00 APP (0.41) APPTP53PTGS1PDE4ALMNA
SCHEMBL8813035 0.93 TP53 (0.41) APPTP53PTGS1PDE4ALMNA
SCHEMBL8810688 0.91 TP53 (0.39) APPTP53PTGS1PDE4ALMNA
SCHEMBL2680752 0.86 ENPEP (0.37) APPTP53PTGS1PDE4ALMNA
SCHEMBL4583294 0.86 ENPEP (0.37) APPTP53PTGS1PDE4ALMNA
SCHEMBL8810924 0.84 TP53 (0.45) APPTP53BLMS1PR2S1PR1
SCHEMBL8813668 0.84 TSHR (0.41) APPTP53PTGS1PDE4ALMNA
SCHEMBL16308960 0.84 APP (0.42) APPTP53PTGS1PDE4ALMNA
SCHEMBL28530390 0.84 APP (0.42) APPTP53PTGS1PDE4ALMNA
SCHEMBL27882009 0.84 ENPEP (0.36) APPTP53PTGS1PDE4ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed