SCHEMBL30451723

SCHEMBL30451723

N[C@H](Cc1ccccc1)C(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 2/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL27781696 1.00 ALDH1A1 (0.48) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL29653751 1.00 ALDH1A1 (0.48) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL27765393 0.86 ALDH1A1 (0.52) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL7948521 0.85 CYP1A2 (0.49) ALDH1A1MEN1KMT2APOLBKCNH2
SCHEMBL9068341 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL11201638 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL1654192 0.80 ALDH1A1 (0.48) ALDH1A1SLC7A5POLBL3MBTL1TDP1
SCHEMBL27687371 0.80 ALPI (0.53) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL27687370 0.80 ALPI (0.53) ALDH1A1ALPIPKMPTGS1XIAP
SCHEMBL12869704 0.80 KDM4A (0.49) ALDH1A1ALPIPKMPTGS1XIAP

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
US-20230203339-A1 Amino Acid Helical Array Film and Preparation Method Thereof Zju-hangzhou Global Scientific And Technological Innovation Center (CN) 2023-06-29 US claimed
US-20230203339-A1 Amino Acid Helical Array Film and Preparation Method Thereof Zju-hangzhou Global Scientific And Technological Innovation Center (CN) 2023-06-29 US disclosed