SCHEMBL9039893

SCHEMBL9039893

COC(=O)c1ccccc1CCSc1c(O)cc(-c2ccccc2)oc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.37
TNKS O95271 1/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35
EGFR P00533 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
NPC1 O15118 1/20 0.35
ABCB1 P08183 1/20 0.35
CYP3A4 P08684 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
SCHEMBL6964784 0.89 L3MBTL1 (0.43) LMNAALDH1A1L3MBTL1POLBSMN1; SMN2
SCHEMBL7375386 0.88 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1POLBSMN1; SMN2MEN1
SCHEMBL6965449 0.86 PTGER4 (0.39) LMNAALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL6961275 0.84 KDM4E (0.44) ALDH1A1L3MBTL1POLBSMN1; SMN2TSHR
SCHEMBL6960622 0.79 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1POLBSMN1; SMN2TNKS
SCHEMBL6959999 0.78 NTRK1 (0.46) LMNAALDH1A1L3MBTL1POLBSMN1; SMN2
SCHEMBL6955598 0.77 SMN1; SMN2 (0.47) LMNAALDH1A1L3MBTL1POLBSMN1; SMN2
SCHEMBL6957750 0.77 ABCB1 (0.44) ALDH1A1L3MBTL1POLBSMN1; SMN2TSHR
SCHEMBL6958824 0.77 TNKS (0.48) LMNAALDH1A1L3MBTL1POLBSMN1; SMN2
SCHEMBL8538393 0.77 POLB (0.43) LMNAALDH1A1L3MBTL1POLBSMN1; SMN2

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