SCHEMBL13809694

SCHEMBL13809694

COc1cc(OC)c(C(=O)OCC(COC(=O)c2ccccc2)OC(=O)c2cc(OC)c(OC)cc2OC)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
PTPN1 P18031 2/20 0.49
PKM P14618 1/20 0.48
ADRB2 P07550 3/20 0.47
ADRB1 P08588 3/20 0.47
ADRB3 P13945 3/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SERPINE1 P05121 1/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL13809662 0.99 PTPN1 (0.50) KMT2APTPN1PKMADRB2ADRB1
SCHEMBL13809660 0.89 KMT2A (0.61) KMT2APTPN1PKMALDH1A1KDM4E
SCHEMBL13809639 0.86 NPC1 (0.54) KMT2APTPN1ALDH1A1MEN1LMNA
SCHEMBL13809641 0.85 NPC1 (0.55) KMT2APTPN1ALDH1A1MEN1LMNA
SCHEMBL13809615 0.84 PTPN1 (0.51) KMT2APTPN1ADRB2ADRB1ADRB3
SCHEMBL13809645 0.83 PTPN1 (0.56) KMT2APTPN1ADRB2ADRB1ADRB3
SCHEMBL13809637 0.83 PTPN1 (0.56) KMT2APTPN1ADRB2ADRB1ADRB3
SCHEMBL13809675 0.82 PKM (0.53) KMT2APTPN1PKMADRB2ADRB1
SCHEMBL13809674 0.81 PTPN1 (0.60) KMT2APTPN1ALDH1A1MAPK1SERPINE1
SCHEMBL13809648 0.81 PTPN1 (0.60) KMT2APTPN1ALDH1A1MAPK1SERPINE1

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
US-20090155495-A1 PROCESS FOR PRODUCING CELLULOSE ACYLATE FILM, CELLULOSE ACYLATE FILM, POLARIZER, AND LIQUID-CRYSTAL DISPLAY KONICA MINOLTA OPTO, INC. (JP) 2009-06-18 US disclosed
US-20090155495-A1 PROCESS FOR PRODUCING CELLULOSE ACYLATE FILM, CELLULOSE ACYLATE FILM, POLARIZER, AND LIQUID-CRYSTAL DISPLAY KONICA MINOLTA OPTO, INC. (JP) 2009-06-18 US disclosed