SCHEMBL9024048

SCHEMBL9024048

COC(=O)COc1cc[c]cc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
APP P05067 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HMGCR P04035 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9023825 0.94 LMNA (0.45) LMNAKMT2AMEN1CYP1A2APP
SCHEMBL9025222 0.93 LMNA (0.47) LMNAKMT2AMEN1CYP1A2APP
SCHEMBL9024146 0.88 L3MBTL1 (0.45) LMNAKMT2AMEN1CYP1A2HMGCR
SCHEMBL9024831 0.86 ALDH1A1 (0.54) KMT2AMEN1CYP1A2POLBSMN1; SMN2
SCHEMBL3209384 0.85 POLB (0.62) LMNAKMT2AMEN1APPPOLB
SCHEMBL9449849 0.83 LMNA (0.55) LMNAKMT2AMEN1CYP1A2SMN1; SMN2
SCHEMBL6199939 0.81 KMT2A (0.52) LMNAKMT2AMEN1CYP1A2POLB
SCHEMBL3513032 0.80 MEN1 (0.44) LMNAKMT2AMEN1CYP1A2POLB
SCHEMBL18297785 0.79 ALDH1A1 (0.56) LMNAKMT2AMEN1CYP1A2APP
SCHEMBL20564610 0.79 PDE4A (0.38) LMNAKMT2AMEN1POLBSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012114252-A1 NOVEL INDOLE AND PYRROLOPYRIDINE AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-08-30 WO disclosed
EP-0398179-B1 Rhodanine derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO (JP) 1996-01-17 EP disclosed
US-5116855-A Aldose reductase inhibitors; antidiabetic agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-05-26 US disclosed
EP-0398179-A1 Rhodanine derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-11-22 EP disclosed