SCHEMBL9320722

SCHEMBL9320722

C=CCOCCOc1ccc(C2(c3ccc(OCCOCC=C)cc3)CCC(c3ccc(OCCOCC=C)cc3)(c3ccc(OCCOCC=C)cc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
TSHR P16473 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TET3 O43151 1/20 0.34
FBXL19 Q6PCT2 1/20 0.34

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
SCHEMBL9320648 0.90 PSMB1 (0.46) PSMB1PSMB5PSMB2KMT2AMEN1
SCHEMBL9320798 0.81 PSMB1 (0.45) PSMB1PSMB5PSMB2KMT2AMEN1
SCHEMBL14004238 0.80 RARB (0.41) CA12CA1CA2CA7CA9
SCHEMBL826438 0.79 PSMB1 (0.50) PSMB1PSMB5PSMB2KMT2AMEN1
SCHEMBL472145 0.78 PSMB1 (0.53) PSMB1PSMB5PSMB2KMT2AMEN1
SCHEMBL1596823 0.77 KCNA3 (0.52) KMT2AMEN1ALDH1A1KDM4EMAPK1
SCHEMBL12926348 0.76 APP (0.53) ALDH1A1L3MBTL1LMNA
SCHEMBL14289122 0.75 PSMB1 (0.54) PSMB1PSMB5PSMB2KMT2AMEN1
SCHEMBL31316456 0.75 THRB (0.50) KMT2AMEN1ALDH1A1KDM4EMAPK1
Water SCHEMBL9510400 0.75 THRB (0.50) KMT2AMEN1ALDH1A1KDM4EMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464408-B1 Process for preparing star compounds SEKISUI CHEMICAL CO LTD (JP) 1994-01-12 EP disclosed
US-5102966-A Addition polymerization of unsaturated ethers using an unsaturated alkenyl polyether adduct as initiator and a cation-donating compound SEKISUI CHEMICAL CO., LTD. (JP) 1992-04-07 US disclosed
EP-0464408-A1 Process for preparing star compounds SEKISUI CHEMICAL CO., LTD. (JP) 1992-01-08 EP disclosed