SCHEMBL6960232

SCHEMBL6960232

Cc1cc(C)cc(-c2cc(O)c(Sc3ccccc3)c(=O)o2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
FTO Q9C0B1 1/20 0.36
ABCB1 P08183 1/20 0.36
ALOX5 P09917 1/20 0.35
LIPE Q05469 1/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
AR P10275 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
QPCT Q16769 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
SCHEMBL7397801 0.87 SMN1; SMN2 (0.54) SMN1; SMN2POLBL3MBTL1KDM4EHTT
SCHEMBL6965057 0.84 SMN1; SMN2 (0.46) SMN1; SMN2POLBL3MBTL1KDM4EHTT
SCHEMBL6959292 0.81 POLB (0.35) SMN1; SMN2POLBL3MBTL1KDM4EHTT
SCHEMBL6963460 0.81 EGFR (0.41) SMN1; SMN2POLBL3MBTL1ALDH1A1TSHR
SCHEMBL11792467 0.80 MEN1 (0.45) SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL6952786 0.80 L3MBTL1 (0.39) SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL6958076 0.79 SMN1; SMN2 (0.58) SMN1; SMN2POLBL3MBTL1KDM4EHTT
SCHEMBL8535277 0.77 BCL2 (0.38) SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL6958947 0.77 SMN1; SMN2 (0.49) SMN1; SMN2POLBL3MBTL1KDM4EHTT
SCHEMBL6965119 0.76 SMN1; SMN2 (0.46) SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed
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