SCHEMBL31662812

SCHEMBL31662812

CC(C)(C)OC(=O)Nc1ccc(CN2C(=O)C(Cl)=C(Cl)C2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
CYP17A1 P05093 3/20 0.46
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
DRD2 P14416 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPKAPK2 P49137 3/20 0.39
PSMB8 P28062 1/20 0.39
NAMPT P43490 3/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
LIPE Q05469 1/20 0.37
GLS O94925 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
P2RX3 P56373 1/20 0.36

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
SCHEMBL31662909 0.83 ALDH1A1 (0.48) HDAC3HDAC8CA12CA1CA9
SCHEMBL31662836 0.79 KDM4E (0.36) HDAC8
SCHEMBL31662651 0.78 CA1 (0.40) CA12CA1CA9
SCHEMBL31662801 0.75 SMN1; SMN2 (0.53) NAMPT
SCHEMBL243856 0.72 CYP17A1 (0.59) PTGDR2CYP17A1HDAC3HDAC8NCOR2
SCHEMBL132701 0.72 CYP17A1 (0.76) PTGDR2CYP17A1HDAC3HDAC8NCOR2
SCHEMBL31662895 0.72 PTGS1 (0.47)
SCHEMBL13055402 0.71 CYP17A1 (0.59) PTGDR2CYP17A1DRD2MAPK14MAPKAPK2
SCHEMBL22425202 0.71 CYP17A1 (0.58) PTGDR2CYP17A1HDAC3HDAC8NCOR2
SCHEMBL31662790 0.71 LMNA (0.38)

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-2025147756-A1 VIRAL SENSITIZERS COMPOSITIONS, METHODS AND USES THEREOF OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2025-07-17 WO disclosed