SCHEMBL20168665

SCHEMBL20168665

C=CCC[C@H](Cc1cccc(C(=O)O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 14/20 0.56
SLC7A5 Q01650 1/20 0.47
ANPEP P15144 1/20 0.41
ENPEP Q07075 1/20 0.41
MRGPRX4 Q96LA9 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
SCHEMBL21570560 1.00 FOLH1 (0.56) FOLH1SLC7A5ANPEPENPEPMRGPRX4
SCHEMBL20168766 0.94 FOLH1 (0.49) FOLH1SLC7A5
SCHEMBL21570577 0.94 FOLH1 (0.49) FOLH1SLC7A5
SCHEMBL20179248 0.91 SLC7A5 (0.56) FOLH1SLC7A5
SCHEMBL20179262 0.85 SLC7A5 (0.49) FOLH1SLC7A5
SCHEMBL21577999 0.83 FOLH1 (0.68) FOLH1ANPEPENPEP
SCHEMBL20168567 0.83 FOLH1 (0.68) FOLH1ANPEPENPEP
SCHEMBL14508892 0.83 FOLH1 (0.68) FOLH1ANPEPENPEP
SCHEMBL20168300 0.81 FOLH1 (0.57) FOLH1SLC7A5
SCHEMBL23833858 0.81 REN (0.44) FOLH1

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