SCHEMBL8638571

SCHEMBL8638571

C=CCNC(=O)[C@H](CC(=O)O)NO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FAAH O00519 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 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
SCHEMBL8516424 0.80 CA2 (0.36) SMN1; SMN2TSHRMAPTKMT2AHPGD
SCHEMBL5572941 0.77 SMN1; SMN2 (0.43) SMN1; SMN2TSHRMAPTKMT2AHPGD
SCHEMBL1858179 0.71 TSHR (0.36) SMN1; SMN2TSHRMAPTKMT2AHPGD
SCHEMBL6897874 0.71 FOLH1 (0.43) SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL176161 0.71 CA2 (0.39) SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL176159 0.71 CA2 (0.39) SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL4236035 0.70 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPTKMT2AHPGD
SCHEMBL852878 0.70 TSHR (0.35) SMN1; SMN2TSHRMAPTKMT2AHPGD
SCHEMBL8994505 0.69 CA2 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL4347265 0.69 MAPT (0.48) SMN1; SMN2TSHRMAPTKMT2AHPGD

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-0832851-A1 Biodegradable poly (amino acids), derivatized amino acid polymers and methods for making the same Nalco Chemical Company (US) 1998-04-01 EP claimed