SCHEMBL9852719

SCHEMBL9852719

O=C(O)CC(NC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 1/20 0.53
CTSS P25774 8/20 0.50
HTT P42858 1/20 0.50
CAPN1 P07384 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6447474 0.87 PKM (0.50) SMN1; SMN2PKMCTSSHTTCAPN1
SCHEMBL6447475 0.87 PKM (0.50) SMN1; SMN2PKMCTSSHTTCAPN1
SCHEMBL4728438 0.84 MME (0.45) SMN1; SMN2PKMPOLBGAAMAPT
SCHEMBL5781357 0.83 SMN1; SMN2 (0.53) SMN1; SMN2PKMCTSSHTTCAPN1
SCHEMBL7027854 0.81 CTSS (0.69) SMN1; SMN2PKMCTSSHTTCAPN1
SCHEMBL6802863 0.81 CTSS (0.69) SMN1; SMN2PKMCTSSHTTCAPN1
SCHEMBL5516574 0.81 PKM (0.58) SMN1; SMN2PKMCTSSHTTCAPN1
SCHEMBL5516579 0.81 PKM (0.58) SMN1; SMN2PKMCTSSHTTCAPN1
SCHEMBL6801263 0.81 CTSS (0.69) SMN1; SMN2PKMCTSSHTTCAPN1
SCHEMBL6801412 0.81 HTT (0.56) SMN1; SMN2PKMCTSSHTTCAPN1

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