SCHEMBL9040534

SCHEMBL9040534

Cc1cccc(C)c1SCC(C)CCc1c(O)cc(-c2ccccc2)oc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
AR P10275 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP1B1 Q16678 1/20 0.34
FTO Q9C0B1 1/20 0.34

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
SCHEMBL7370477 0.89 MEN1 (0.41) SMN1; SMN2POLBL3MBTL1MAOAMAOB
SCHEMBL7366840 0.87 SMN1; SMN2 (0.41) SMN1; SMN2POLBL3MBTL1MAOAMAOB
SCHEMBL7376354 0.83 SMN1; SMN2 (0.40) SMN1; SMN2POLBL3MBTL1MAOAMAOB
SCHEMBL8435039 0.83 ALDH1A1 (0.40) SMN1; SMN2POLBL3MBTL1MEN1KMT2A
SCHEMBL7377770 0.81 ABCB1 (0.40) SMN1; SMN2POLBL3MBTL1MEN1KMT2A
SCHEMBL7373442 0.78 POLB (0.38) SMN1; SMN2POLBL3MBTL1ABCB1ABCG2
SCHEMBL7371795 0.78 POLB (0.37) SMN1; SMN2POLBL3MBTL1ABCB1ABCG2
SCHEMBL7376718 0.76 POLB (0.36) SMN1; SMN2POLBL3MBTL1MEN1KMT2A
SCHEMBL8538817 0.73 SMN1; SMN2 (0.45) SMN1; SMN2POLBL3MBTL1MAOAMAOB
SCHEMBL8116897 0.73 SMN1; SMN2 (0.52) SMN1; SMN2POLBL3MBTL1MAOAMAOB

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

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