SCHEMBL7184451

SCHEMBL7184451

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.50
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
BLM P54132 2/20 0.41
ATM Q13315 2/20 0.41
HIF1A Q16665 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41
GAA P10253 5/20 0.41
LMNA P02545 2/20 0.41
GMNN O75496 1/20 0.40
GABBR2 O75899 1/20 0.40
TP53 P04637 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
SCHEMBL2852665 0.97 HMGCR (0.50) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL2279290 0.87 HMGCR (0.54) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL2279291 0.85 HMGCR (0.52) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL28846430 0.77 HMGCR (0.60) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL9162616 0.77 HMGCR (0.38) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL10426639 0.75 HMGCR (0.65) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL269627 0.74 HMGCR (0.38) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL9455197 0.74 ALDH1A1 (0.46) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL2861240 0.74 HMGCR (0.52) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL10426640 0.74 HMGCR (0.63) HMGCRKMT2AALDH1A1MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617008-B1 Decorative film or sheet, and decorative material and building material made by using the same IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2003-09-09 US disclosed