SCHEMBL8235161

SCHEMBL8235161

CCC(CC)C(=O)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAOB P27338 1/20 0.52
ALDH1A1 P00352 7/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4A O75164 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL23730306 0.92 KMT2A (0.49) KMT2AMEN1MAOBALDH1A1HTT
SCHEMBL1104649 0.86 MAOB (0.56) KMT2AMEN1MAOBALDH1A1HTT
SCHEMBL1057910 0.86 KMT2A (0.51) KMT2AMEN1MAOBALDH1A1HTT
SCHEMBL27808961 0.85 ALDH1A1 (0.55) KMT2AMEN1MAOBALDH1A1HTT
SCHEMBL6153301 0.83 MAOB (0.48) KMT2AMEN1MAOBALDH1A1HTT
SCHEMBL9782658 0.83 MAOB (0.52) KMT2AMEN1MAOBALDH1A1HTT
SCHEMBL10969822 0.83 MAOB (0.52) KMT2AMEN1MAOBALDH1A1HTT
SCHEMBL6865970 0.82 MAOB (0.52) KMT2AMEN1MAOBALDH1A1HTT
SCHEMBL1759352 0.82 MAOB (0.55) KMT2AMEN1MAOBALDH1A1HTT
SCHEMBL5583436 0.82 ALDH1A1 (0.53) KMT2AMEN1MAOBALDH1A1HTT

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-2007079130-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2007-07-12 WO disclosed