SCHEMBL15470689

SCHEMBL15470689

CCOC(=O)CCC(=O)OCCOC1(C)c2ccccc2-c2c1c1c(c3ccccc23)OC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.34
HTT P42858 2/20 0.32
PTPN1 P18031 2/20 0.31
ALDH1A1 P00352 6/20 0.31
TP53 P04637 2/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 2/20 0.30
TDP1 Q9NUW8 3/20 0.30
ALOX15 P16050 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPK1 P28482 1/20 0.30
MPI P34949 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL15445518 0.96 PDK2 (0.37) PDK2PTPN1
SCHEMBL15470691 0.95 HTT (0.32) HTTALDH1A1TP53LMNA
SCHEMBL15470692 0.95 HTT (0.32) HTTALDH1A1TP53LMNA
SCHEMBL17479893 0.94 HTT (0.31) HTTTP53
SCHEMBL13824178 0.94 TP53 (0.33) PDK2HTTALDH1A1TP53LMNA
SCHEMBL15445521 0.94 HTT (0.32) HTTALDH1A1TP53LMNA
SCHEMBL13824173 0.93 HTT (0.33) HTT
SCHEMBL15445493 0.92 PDK2 (0.31) PDK2HTTTP53
SCHEMBL14232865 0.92 HTT (0.31) HTTTP53
SCHEMBL22239340 0.92 ALK (0.32) HTT

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
US-9217812-B2 Photochromic polymer VIVIMED LABS EUROPE LTD (GB) 2015-12-22 US disclosed
US-9217812-B2 Photochromic polymer VIVIMED LABS EUROPE LTD (GB) 2015-12-22 US disclosed
US-20140042377-A1 Photochromic Polymer VIVIMED LABS EUROPE LTD (GB) 2014-02-13 US disclosed
US-20140042377-A1 Photochromic Polymer VIVIMED LABS EUROPE LTD (GB) 2014-02-13 US disclosed