SCHEMBL13809654

SCHEMBL13809654

COc1cccc(OC)c1C(=O)OCC(COC(=O)c1c(OC)cccc1OC)OC(=O)c1c(OC)cccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
PTPN1 P18031 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ELANE P08246 1/20 0.43
SERPINE1 P05121 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL13809653 0.92 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL13809640 0.90 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL13809678 0.86 PTPN1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL13809658 0.84 PTPN1 (0.51) PTPN1SMN1; SMN2KMT2ASERPINE1
SCHEMBL17502733 0.83 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL13809672 0.81 PTPN1 (0.49) PTPN1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2612564 0.79 ALDH1A1 (0.51) CA2PTPN1ALDH1A1L3MBTL1KMT2A
SCHEMBL13809673 0.79 PTPN1 (0.47) PTPN1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL13809661 0.79 PTPN1 (0.50) PTPN1SMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL13809668 0.78 PTPN1 (0.49) PTPN1ALDH1A1L3MBTL1MEN1KMT2A

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