SCHEMBL28476409

SCHEMBL28476409

N#CC1C(=C=O)C=CC=C1C(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
ATM Q13315 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SRD5A2 P31213 1/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
ALPG P10696 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
CCR6 P51684 1/20 0.31
TLR9 Q9NR96 1/20 0.31
AKR1C3 P42330 1/20 0.31
PIM1 P11309 1/20 0.31
NPC1 O15118 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
SCHEMBL26684634 0.66 ALDH1A1 (0.43) ALDH1A1ATMTDP1L3MBTL1SRD5A2
SCHEMBL8672093 0.65 ALDH1A1 (0.42) ALDH1A1ATMTDP1L3MBTL1SRD5A2
SCHEMBL28417966 0.65 ALDH1A1 (0.42) ALDH1A1ATMTDP1L3MBTL1SRD5A2
Water SCHEMBL27481395 0.64 TSHR (0.30) TDP1
SCHEMBL8747304 0.62
Benzophenone SCHEMBL27839064 0.61 ALDH1A1 (0.93) ALDH1A1ATMTDP1L3MBTL1SRD5A2
Benzophenone SCHEMBL27444367 0.61 ALDH1A1 (0.93) ALDH1A1ATMTDP1L3MBTL1SRD5A2
Benzophenone SCHEMBL2678745 0.61 ALDH1A1 (0.93) ALDH1A1ATMTDP1L3MBTL1SRD5A2
Benzophenone SCHEMBL27350158 0.61 ALDH1A1 (0.93) ALDH1A1ATMTDP1L3MBTL1SRD5A2
SCHEMBL22129791 0.61 ALDH1A1 (0.37) ALDH1A1ATMTDP1L3MBTL1SRD5A2

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
CN-108699091-B pH-responsive fluorescent compound, composition for detecting mitophagy using same, and method for detecting mitophagy in cell 株式会社同仁化学研究所 2020-10-02 CN disclosed