SCHEMBL17208795

SCHEMBL17208795

CCC(=O)OCc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 3/20 0.47
RECQL P46063 1/20 0.46
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL26397636 0.87 TSHR (0.46) TSHRCYP3A4MAPTKDM4EGAA
SCHEMBL3124043 0.84 TSHR (0.49) TSHRCYP3A4MAPTKDM4EGAA
SCHEMBL27687102 0.82 TSHR (0.46) TSHRCYP3A4MAPTKDM4EGAA
SCHEMBL27583162 0.81 MAPT (0.44) TSHRCYP3A4MAPTKDM4EGAA
SCHEMBL406358 0.81 MAPT (0.51) TSHRCYP3A4MAPTKDM4EGAA
SCHEMBL1759352 0.81 MAOB (0.55) TSHRALDH1A1POLBKMT2AMEN1
SCHEMBL27432779 0.81 MAPT (0.46) TSHRCYP3A4MAPTALDH1A1KMT2A
SCHEMBL30797376 0.79 TSHR (0.56) TSHRCYP3A4MAPTKDM4EALDH1A1
SCHEMBL7193090 0.78 TSHR (0.64) TSHRCYP3A4MAPTALDH1A1TDP1
SCHEMBL7641250 0.77 MAPT (0.56) TSHRCYP3A4MAPTKDM4EGAA

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-20230313030-A1 PHOTOACTIVE ORGANIC LIGANDS AND METHODS FOR RADIATION PATTERNING OF NANOPARTICLES FOR FORMATION OF HIGH QUANTUM YIELD DOWNCONVERTER MATERIALS NanoPattern Technologies, Inc. 2023-10-05 US disclosed
WO-2015163817-A1 POLYMERS AND OLIGOMERS WITH AGGREGATION-INDUCED EMISSION CHARACTERISTICS FOR IMAGING AND IMAGE-GUIDED THERAPY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2015-10-29 WO disclosed