SCHEMBL7523073

SCHEMBL7523073

C=C(C)C(=O)NCCC(O)O.CC(C)CS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.33
RNPEP Q9H4A4 3/20 0.33
DNPEP Q9ULA0 2/20 0.33
TGFBR1 P36897 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL98539 0.83 TGFBR1 (0.38) ANPEPRNPEPDNPEPTGFBR1SMN1; SMN2
SCHEMBL6364092 0.83 TGFBR1 (0.35) ANPEPRNPEPDNPEPTGFBR1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28096709 0.82 TGFBR1 (0.37) ANPEPRNPEPDNPEPTGFBR1SMN1; SMN2
SCHEMBL9400098 0.79 TGFBR1 (0.37) ANPEPRNPEPDNPEPTGFBR1
SCHEMBL3235398 0.76 ANPEP (0.52) ANPEPRNPEPDNPEPTGFBR1SMN1; SMN2
SCHEMBL3201604 0.76 ANPEP (0.38) ANPEPRNPEPDNPEPTGFBR1SMN1; SMN2
SCHEMBL28345627 0.75 KDM4E (0.40) TGFBR1
SCHEMBL157717 0.75 ALDH1A1 (0.45) ANPEPRNPEPDNPEPTGFBR1SMN1; SMN2
Water SCHEMBL16198283 0.74 TGFBR1 (0.31) TGFBR1
SCHEMBL28070541 0.73 CHRNB2 (0.32)

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-0695789-B1 Printing sheet from which deposits are readily removed HITACHI MAXELL (JP) 2002-02-27 EP claimed