SCHEMBL23269488

SCHEMBL23269488

C=C(C)C(=O)NCCC(O)OC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TGFBR1 P36897 1/20 0.34
ANPEP P15144 2/20 0.32
RNPEP Q9H4A4 2/20 0.32
DNPEP Q9ULA0 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3272669 0.83 ALDH1A1 (0.37) ALDH1A1TGFBR1ANPEPRNPEPDNPEP
SCHEMBL553719 0.81 ALDH1A1 (0.35) ALDH1A1TGFBR1ANPEPRNPEPDNPEP
SCHEMBL98539 0.80 TGFBR1 (0.38) ALDH1A1TGFBR1ANPEPRNPEPDNPEP
SCHEMBL157717 0.79 ALDH1A1 (0.45) ALDH1A1TGFBR1ANPEPRNPEPDNPEP
SCHEMBL2499196 0.77 ANPEP (0.33) ALDH1A1TGFBR1ANPEPRNPEPDNPEP
SCHEMBL1073008 0.76 ALDH1A1 (0.34) ALDH1A1TGFBR1MEN1KMT2AGAA
SCHEMBL3235398 0.76 ANPEP (0.52) TGFBR1ANPEPRNPEPDNPEPGAA
SCHEMBL1197765 0.76 THRB (0.32) ALDH1A1TGFBR1KMT2AGAARAB9A
SCHEMBL18141154 0.76 TGFBR1 (0.43) ALDH1A1TGFBR1ANPEPRNPEPDNPEP
SCHEMBL7757017 0.76 TGFBR1 (0.35) ALDH1A1TGFBR1ANPEPRNPEPDNPEP

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
WO-2021073667-A1 METHOD FOR THE PREPARATION OF POLYMERIC CARRIERS FOR PH- CONTROLLED DRUG RELEASE AND THEIR CONJUGATES WITH DRUGS USTAV MAKROMOLEKULARNI CHEMIE AV CR, V.V.I. (CZ) 2021-04-22 WO disclosed