SCHEMBL9030874

SCHEMBL9030874

O=c1oc(-c2ccccc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.53
POLB P06746 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 6/20 0.48
HPGD P15428 6/20 0.48
MAPT P10636 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HSD17B10 Q99714 5/20 0.47
CYP3A4 P08684 5/20 0.47
ALOX15 P16050 4/20 0.47
KDM4E B2RXH2 4/20 0.47
TP53 P04637 4/20 0.47
CYP19A1 P11511 3/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
MAPK1 P28482 2/20 0.47
TERT O14746 1/20 0.47
IKBKB O14920 1/20 0.47
NTRK2 Q16620 1/20 0.47

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
SCHEMBL76097 0.74 CYP2E1 (0.58) SMN1; SMN2POLBALDH1A1HPGDMAPT
SCHEMBL6962833 0.73 SMN1; SMN2 (0.59) SMN1; SMN2POLBL3MBTL1ALDH1A1HPGD
SCHEMBL28127747 0.73 ALOX5 (0.50) SMN1; SMN2POLBL3MBTL1ALDH1A1HPGD
SCHEMBL13617471 0.73 ALDH1A1 (0.50) SMN1; SMN2POLBALDH1A1HPGDMAPT
SCHEMBL4244247 0.72 SMN1; SMN2 (0.77) SMN1; SMN2POLBL3MBTL1ALDH1A1HPGD
SCHEMBL6952636 0.72 SMN1; SMN2 (0.58) SMN1; SMN2POLBL3MBTL1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7373131 0.72 SMN1; SMN2 (0.58) SMN1; SMN2POLBL3MBTL1ALDH1A1HPGD
SCHEMBL6958076 0.72 SMN1; SMN2 (0.58) SMN1; SMN2POLBL3MBTL1ALDH1A1HPGD
SCHEMBL27471575 0.71 SMN1; SMN2 (0.52) SMN1; SMN2POLBL3MBTL1ALDH1A1HPGD
SCHEMBL30872887 0.70 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1HPGDMAPTMEN1

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 4 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
EP-0729463-A1 5,6-DIHYDROPYRONE 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
US-4710513-A Substituted pyranone inhibitors of cholesterol synthesis MERCK & CO., INC. (US) 1987-12-01 US disclosed