SCHEMBL25386552

SCHEMBL25386552

CC(C)(C)OC(=O)N[C@@](C)(CC(=O)O)c1cccc(-c2cccc(Cl)c2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CNR2 P34972 2/20 0.38
SLC6A9 P48067 1/20 0.37
HSP90AA1 P07900 3/20 0.35
HSP90AB1 P08238 3/20 0.35
CTSA P10619 1/20 0.35
XPO1 O14980 1/20 0.35
PDE4D Q08499 1/20 0.35
HTT P42858 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NCOA1 Q15788 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
RORC P51449 2/20 0.35

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
SCHEMBL25386554 1.00 CTSL (0.40) CTSLCNR2SLC6A9HSP90AA1HSP90AB1
SCHEMBL31486685 0.91 CTSL (0.38) CTSLCNR2HSP90AA1HSP90AB1XPO1
SCHEMBL25386927 0.81 RORC (0.35) CTSARORCCHRM3
SCHEMBL25386930 0.81 RORC (0.35) CTSARORCCHRM3
SCHEMBL25387205 0.80 AKT1 (0.35) CTSLCTSALMNA
SCHEMBL25387208 0.80 AKT1 (0.35) CTSLCTSALMNA
SCHEMBL25387434 0.80 DRD2 (0.35) CTSLCTSALMNA
SCHEMBL25387437 0.80 DRD2 (0.35) CTSLCTSALMNA
SCHEMBL25387520 0.79 CTSA (0.35) CTSA
Hydrochloric Acid SCHEMBL25387304 0.76 SLC9A1 (0.40) CNR2SLC6A9HSP90AA1HSP90AB1CTSA

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-2023152042-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2023-08-17 WO disclosed