SCHEMBL9979587

SCHEMBL9979587

CCC(C(=O)OC)c1cc(OC)c(OC)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGS2 P35354 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL9719904 0.76 MAPK1 (0.49) MAPK1KDM4EKMT2AALDH1A1MEN1
SCHEMBL28975450 0.74 MAPK1 (0.48) MAPK1KDM4EKMT2AALDH1A1MEN1
SCHEMBL8900397 0.74 ADRA1A (0.53) KMT2AMEN1L3MBTL1LMNA
SCHEMBL9589367 0.71 ALDH1A1 (0.55) KMT2AALDH1A1MEN1L3MBTL1LMNA
SCHEMBL24983762 0.70 L3MBTL1 (0.50) MAPK1KDM4EKMT2AALDH1A1MEN1
SCHEMBL500044 0.70 AKR1C3 (0.54) MAPK1KDM4EKMT2AALDH1A1MEN1
SCHEMBL12499466 0.70 AKR1C3 (0.54) MAPK1KDM4EKMT2AALDH1A1MEN1
SCHEMBL7166547 0.70 AKR1C3 (0.54) MAPK1KDM4EKMT2AALDH1A1MEN1
SCHEMBL18287899 0.70 MAPT (0.46) KDM4EKMT2AMEN1POLBL3MBTL1
SCHEMBL7311711 0.70 KMT2A (0.44) MAPK1KDM4EKMT2AALDH1A1MEN1

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
WO-2011160021-A2 FULLERENE DERIVATIVES KONARKA TECHNOLOGIES, INC. (US) 2011-12-22 WO claimed
WO-2011160021-A2 FULLERENE DERIVATIVES KONARKA TECHNOLOGIES, INC. (US) 2011-12-22 WO disclosed