SCHEMBL20177448

SCHEMBL20177448

CC(C)C[C@@H](N)C(O)C=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 8/20 0.40
DNPEP Q9ULA0 2/20 0.40
SLC7A5 Q01650 1/20 0.39
LAP3 P28838 4/20 0.38
ERAP1 Q9NZ08 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
RNPEP Q9H4A4 2/20 0.33
ERAP2 Q6P179 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
PAX8 Q06710 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
SCHEMBL10714554 1.00 ANPEP (0.40) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL6242953 1.00 ANPEP (0.40) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL7383005 0.76 TSHR (0.38) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL10715352 0.76 TSHR (0.38) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL6120976 0.75
SCHEMBL13858964 0.73 ANPEP (0.38) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL1228290 0.73 ANPEP (0.38) ANPEPDNPEPSLC7A5LAP3ERAP1
SCHEMBL9824000 0.73 GABRP (0.52) ANPEPDNPEPSLC7A5LAP3ALDH1A1
SCHEMBL9823997 0.73 GABRP (0.52) ANPEPDNPEPSLC7A5LAP3ALDH1A1
SCHEMBL7285511 0.73 GABRP (0.52) ANPEPDNPEPSLC7A5LAP3ALDH1A1

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-2018092723-A1 Ras PROTEIN DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION 学校法人東京理科大学 2018-05-24 WO disclosed