SCHEMBL19258739

SCHEMBL19258739

CCC(=O)OCC(C)(CC)[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 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
SCHEMBL18950528 0.80 THRB (0.37) ALDH1A1
SCHEMBL6516909 0.79 NAAA (0.34) NAAARECQLALDH1A1KMT2APOLB
SCHEMBL9814484 0.77 THRB (0.45) ALDH1A1KMT2AHPGDHIF1A
SCHEMBL15797989 0.77 THRB (0.40) ALDH1A1
SCHEMBL7158605 0.76 LMNA (0.43) NAAARECQLALDH1A1KMT2APOLB
SCHEMBL6450202 0.76 RECQL (0.36) NAAARECQLALDH1A1KMT2APOLB
SCHEMBL8849362 0.73 DGKA (0.53) ALDH1A1KMT2A
SCHEMBL10869390 0.72 ALDH1A1 (0.50) ALDH1A1
SCHEMBL28570150 0.71 DGKA (0.35) ALDH1A1KMT2ACYP1A2
SCHEMBL6789266 0.71 NAAA (0.40) NAAAALDH1A1CYP1A2HPGDCYP2C19

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
EP-2931768-B1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL (US) 2017-08-16 EP disclosed