SCHEMBL13809672

SCHEMBL13809672

COc1cc(OC)c(C(=O)OCC(COC(=O)c2ccccc2)OC(=O)c2c(OC)cc(OC)cc2OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
ALDH1A1 P00352 1/20 0.47
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
ADRB3 P13945 3/20 0.45
KMT2A Q03164 4/20 0.44
SERPINE1 P05121 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL13809661 0.99 PTPN1 (0.50) PTPN1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL13809653 0.90 ALDH1A1 (0.49) PTPN1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL13809658 0.89 PTPN1 (0.51) PTPN1KMT2ASERPINE1CYP3A4
SCHEMBL13809640 0.88 ALDH1A1 (0.50) PTPN1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL13809641 0.85 NPC1 (0.55) PTPN1ALDH1A1KMT2AMAPTTP53
SCHEMBL13809639 0.84 NPC1 (0.54) PTPN1ALDH1A1KMT2AMAPTTP53
SCHEMBL13809651 0.84 SERPINE1 (0.55) PTPN1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL13809638 0.84 SERPINE1 (0.55) PTPN1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL13809622 0.82 MAPT (0.58) PTPN1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL13809668 0.82 PTPN1 (0.49) PTPN1ALDH1A1ADRB2ADRB1ADRB3

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