SCHEMBL26121

SCHEMBL26121

CCCC[PH](CCCC)(CCCC)CCCOC(=O)c1ccc(C(C)COC(=O)OCC2C3=CC=CCC3c3ccccc32)c([N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
GAPDH P04406 1/20 0.31
HSPA1A P0DMV8 1/20 0.31
PTPN7 P35236 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 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
SCHEMBL26219 0.85 ESR1 (0.38) ESR1ALDH1A1MAPT
SCHEMBL16016767 0.79 ESR1 (0.42) ESR1ALDH1A1MAPT
SCHEMBL25432 0.74 ESR1 (0.49) ESR1ALDH1A1MAPT
SCHEMBL26858 0.70 HCAR3 (0.41) ALDH1A1MAPT
SCHEMBL26859 0.68 MAPT (0.35) ALDH1A1MAPT
SCHEMBL16016753 0.67 ESR1 (0.55) ESR1ALDH1A1MAPT
SCHEMBL16016718 0.65 THRA (0.41) ESR1ALDH1A1MAPT
SCHEMBL26165 0.64 LMNA (0.49) ALDH1A1MAPT
SCHEMBL16016735 0.60 THRA (0.41) MAPT
SCHEMBL16016739 0.60 PDK1 (0.44) ALDH1A1MAPT

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
WO-2012024776-A1 BLOCK SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2012-03-01 WO disclosed