SCHEMBL7370477

SCHEMBL7370477

CC(CCc1c(O)cc(-c2ccccc2)oc1=O)CSc1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSP90AA1 P07900 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 4/20 0.35
MAPT P10636 3/20 0.35
ALOX15 P16050 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
TERT O14746 1/20 0.35
IKBKB O14920 1/20 0.35
MAPK1 P28482 1/20 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
SCHEMBL9040534 0.89 SCN4A (0.40) MEN1KMT2AHSP90AA1SMN1; SMN2POLB
SCHEMBL7366840 0.86 SMN1; SMN2 (0.41) MEN1KMT2AHSP90AA1SMN1; SMN2POLB
SCHEMBL8435039 0.82 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL7376354 0.80 SMN1; SMN2 (0.40) MEN1KMT2AHSP90AA1SMN1; SMN2POLB
SCHEMBL7377770 0.80 ABCB1 (0.40) MEN1KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL7373442 0.78 POLB (0.38) SMN1; SMN2POLBL3MBTL1ABCB1ABCG2
SCHEMBL7371795 0.77 POLB (0.37) SMN1; SMN2POLBL3MBTL1ABCB1ABCG2
SCHEMBL7376718 0.75 POLB (0.36) MEN1KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL8116897 0.72 SMN1; SMN2 (0.52) MEN1KMT2AHSP90AA1SMN1; SMN2POLB
SCHEMBL8535589 0.71 MEN1 (0.51) MEN1KMT2AHSP90AA1SMN1; SMN2POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP claimed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed