SCHEMBL4276263

SCHEMBL4276263

CC(C)(C)Oc1c(C(C)(C)C)cc(CP(=O)(O)O)cc1C(C)(C)C.CC(C)(C)Oc1c(C(C)(C)C)cc(CP(=O)(O)O)cc1C(C)(C)C.[Ni]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.44
PGK2 P07205 5/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
PTPRB P23467 2/20 0.38
HMGCR P04035 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
ATM Q13315 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
THRA P10827 5/20 0.35

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
SCHEMBL496722 0.83 PGK1 (0.43) PGK1PGK2MEN1KMT2AGAA
SCHEMBL7192142 0.81 PGK1 (0.44) PGK1PGK2MEN1KMT2AGAA
SCHEMBL1717587 0.80 MEN1 (0.59) PGK1PGK2MEN1KMT2AGAA
SCHEMBL11438936 0.80 MEN1 (0.59) PGK1PGK2MEN1KMT2AGAA
Calcium SCHEMBL6227678 0.79 PGK1 (0.43) PGK1PGK2MEN1KMT2AGAA
SCHEMBL7934385 0.79 PGK1 (0.43) PGK1PGK2MEN1KMT2AGAA
SCHEMBL10825681 0.79 ENPP2 (0.41) PGK1PGK2MEN1KMT2AGAA
SCHEMBL78134 0.78 MEN1 (0.61) PGK1PGK2MEN1KMT2AGAA
SCHEMBL11581509 0.77 ENPP2 (0.46) THRATHRB
Calcium SCHEMBL912231 0.76 MEN1 (0.59) PGK1PGK2MEN1KMT2AGAA

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-20090075048-A1 Cellulose-mixed ester film and method for producing same FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed