SCHEMBL5523318

SCHEMBL5523318

CC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)([O-])[O-].[Ni+2]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.57
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TSHR P16473 4/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
BLM P54132 2/20 0.46
ATM Q13315 2/20 0.46
HIF1A Q16665 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GMNN O75496 1/20 0.46
GABBR2 O75899 1/20 0.46
TP53 P04637 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL2280824 0.97 HMGCR (0.57) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL1887921 0.97 HMGCR (0.57) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL2187676 0.84 HMGCR (0.60) HMGCRALDH1A1MEN1KMT2ATSHR
Calcium SCHEMBL2278710 0.83 HMGCR (0.58) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL28846430 0.81 HMGCR (0.60) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL1419607 0.77 HMGCR (0.52) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL11438934 0.77 MEN1 (0.58) HMGCRALDH1A1MEN1KMT2ATSHR
Alcohol SCHEMBL28615118 0.76 KMT2A (0.54) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL39082 0.76 HMGCR (0.57) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL6370947 0.76 HMGCR (0.66) HMGCRALDH1A1MEN1KMT2ATSHR

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-20070194479-A1 Thermoplastic Resin Composition For Masterbatches, Method Of Producing Molding Material Thereof, And Thermoplastic Resin Composition Using Them And Method Of Production Thereof TOYO BOSEKI KABUSHIKI KAISHA (JP) 2007-08-23 US disclosed
EP-1693403-A1 THERMOPLASTIC RESIN COMPOSITION FOR MASTERBATCH, PROCESS FOR PRODUCING MOLDING MATERIAL COMPRISING THE SAME, THERMOPLASTIC RESIN COMPOSITION OBTAINED WITH THE SAME, AND PROCESS FOR PRODUCING THE COMPOSITION Toyo Boseki Kabushiki Kaisha (JP) 2006-08-23 EP disclosed