SCHEMBL26165

SCHEMBL26165

CCCC[PH](CCCC)(CCCC)CCCNC(=O)c1ccc(C(C)COC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
POLB P06746 1/20 0.49
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ALDH1A1 P00352 6/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 2/20 0.40
HCAR3 P49019 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL25650 0.88 LMNA (0.51) LMNAPOLBPRMT5WDR77ALDH1A1
SCHEMBL14731556 0.84 ALDH1A1 (0.44) LMNAPOLBPRMT5WDR77ALDH1A1
SCHEMBL26247 0.79 LMNA (0.56) LMNAPOLBPRMT5WDR77ALDH1A1
SCHEMBL16016718 0.77 THRA (0.41) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL16016763 0.77 THRA (0.40) LMNAPOLBALDH1A1NPC1RAB9A
Bromide SCHEMBL20203 0.74 LMNA (0.48) LMNAPOLBPRMT5WDR77ALDH1A1
SCHEMBL25432 0.74 ESR1 (0.49) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL16016735 0.71 THRA (0.41) GAAMAPTHCAR3THRATHRB
Bromide SCHEMBL12474014 0.71 ALDH1A1 (0.47) LMNAPOLBPRMT5WDR77ALDH1A1
SCHEMBL16016739 0.69 PDK1 (0.44) LMNAPOLBALDH1A1NPC1RAB9A

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
WO-2013026142-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2013-02-28 WO disclosed
WO-2012024776-A1 BLOCK SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2012-03-01 WO disclosed