SCHEMBL9852723

SCHEMBL9852723

O=C(O)CC(NC(=O)C1CNCCO1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 8/20 0.44
CTSC P53634 8/20 0.43
KCNH2 Q12809 1/20 0.37
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
MME P08473 1/20 0.35
SSTR1 P30872 1/20 0.34
SSTR2 P30874 1/20 0.34
SSTR3 P32745 1/20 0.34
SSTR5 P35346 1/20 0.34

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
SCHEMBL7360271 0.79 CTSC (0.53) SSTR4CTSCKCNH2MME
SCHEMBL7360264 0.79 CTSC (0.53) SSTR4CTSCKCNH2MME
SCHEMBL4956052 0.78 SSTR4 (0.52) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL7598637 0.75 SSTR4 (0.50) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL20711876 0.75 SSTR4 (0.55) SSTR4CTSCKCNH2SSTR1SSTR2
SCHEMBL29516296 0.75 SSTR4 (0.55) SSTR4CTSCKCNH2SSTR1SSTR2
SCHEMBL7607638 0.75 SSTR4 (0.50) SSTR4CTSCKCNH2
SCHEMBL10608847 0.74 ITGB1 (0.53) SSTR4CTSCKCNH2CA2
SCHEMBL21625333 0.74 SSTR4 (0.51) SSTR4CTSCKCNH2
SCHEMBL18664465 0.73 SSTR4 (0.52) SSTR4CTSCSSTR1SSTR2SSTR3

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
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP disclosed