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Sugi Predict / Compounds / SCHEMBL4351258

SCHEMBL4351258

SCHEMBL4351258

CC(C)Oc1ccc(C(=O)[O-])c(OC(C)C)c1OC(C)C.CC(C)Oc1ccc(C(=O)[O-])c(OC(C)C)c1OC(C)C.CC(C)Oc1ccc(C(=O)[O-])c(OC(C)C)c1OC(C)C.CC(C)Oc1ccc(C(=O)[O-])c(OC(C)C)c1OC(C)C.[Ti+4]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ ACHE P22303 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ PDK1 Q15118 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ BCL2L1 Q07817 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 2/20 0.31

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
SCHEMBL11969532 0.97 IRAK4 (0.41) IRAK4ALDH1A1ACHERORCPDK1
SCHEMBL8891437 0.89 IRAK4 (0.38) IRAK4ALDH1A1ACHERORCPDK1
SCHEMBL19543406 0.81 IRAK4 (0.42) IRAK4ALDH1A1ACHERORCPDK1
SCHEMBL4363187 0.78 IRAK4 (0.37) IRAK4ALDH1A1ACHERORCPDK1
SCHEMBL20445406 0.78 IRAK4 (0.40) IRAK4ALDH1A1ACHERORCIDO1
SCHEMBL539281 0.77 IRAK4 (0.36) IRAK4ALDH1A1ACHERORCPDK1
SCHEMBL4355951 0.76 IRAK4 (0.38) IRAK4ALDH1A1ACHERORCPDK1
SCHEMBL28440200 0.76 MAPT (0.49) IRAK4ALDH1A1ACHEHDAC1HDAC8
SCHEMBL6060599 0.74 ALDH1A1 (0.46) IRAK4ALDH1A1KMT2AKDM4ETDP1
SCHEMBL27883374 0.72 MAPT (0.57) ALDH1A1KMT2ATSHRKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8728702-B2 Toner and toner binder SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-20 — — US disclosed
US-8563650-B2 Method for producing resin dispersions and resin particles SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-22 — — US disclosed
US-20120308926-A1 TONER AND TONER BINDER SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-06 — — US disclosed
EP-1887432-B1 TONER AND TONER BINDER SANYO CHEMICAL IND LTD (JP) 2012-07-18 — — EP disclosed
US-20090305158-A1 Toner and Toner Binder SANYO CHEMICAL INDUSTRIES, LTD (JP) 2009-12-10 — — US disclosed
US-20090280423-A1 METHOD FOR PRODUCING RESIN DISPERSIONS AND RESIN PARTICLES SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2009-11-12 — — US disclosed
EP-1887432-A1 TONER AND TONER BINDER SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2008-02-13 — — EP disclosed