SCHEMBL20179169

SCHEMBL20179169

CCC(=O)ONC(=O)CCC(C=O)Cc1cccc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.43
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
SLC7A5 Q01650 2/20 0.40
MEP1B Q16820 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20179257 0.89 ANPEP (0.42) FOLH1ANPEPENPEPSLC7A5MEP1B
SCHEMBL26038893 0.89 FOLH1 (0.44) FOLH1ANPEPENPEPSLC7A5MEP1B
SCHEMBL20179208 0.88 FOLH1 (0.43) FOLH1ANPEPENPEPSLC7A5MRGPRX4
SCHEMBL26038895 0.87 FOLH1 (0.45) FOLH1ANPEPENPEPSLC7A5MEP1B
SCHEMBL20179164 0.87 ANPEP (0.43) FOLH1ANPEPENPEPSLC7A5MEP1B
SCHEMBL26038897 0.86 FOLH1 (0.44) FOLH1ANPEPENPEPSLC7A5MEP1B
SCHEMBL21577919 0.86 FOLH1 (0.45) FOLH1ANPEPENPEPSLC7A5MEP1B
SCHEMBL20179209 0.85 FOLH1 (0.42) FOLH1ANPEPENPEPSLC7A5MEP1B
SCHEMBL20179171 0.85 FOLH1 (0.56) FOLH1ANPEPENPEPSLC7A5
SCHEMBL20168313 0.80 FOLH1 (0.52) FOLH1ANPEPENPEPSLC7A5

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-2018094334-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2018-05-24 WO disclosed