SCHEMBL28401082

SCHEMBL28401082

O=Cc1cc2ccc3cccc4ccc(c1O)c2c34

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.46
CYP1A2 P05177 3/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
AHR P35869 1/20 0.46
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GUSB P08236 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
CYP1A1 P04798 1/20 0.38

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
SCHEMBL25272810 0.86 ERN1 (0.40) ERN1KMT2AMEN1ALDH1A1TDP1
SCHEMBL27278262 0.83 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL10562778 0.82 CYP1A2 (0.52) ERN1CYP1A2ERBB2FYNMAOA
SCHEMBL548370 0.81 CYP1A2 (0.47) ERN1CYP1A2ERBB2FYNMAOA
SCHEMBL5747710 0.79 CYP1A2 (0.46) ERN1CYP1A2ERBB2FYNMAOA
SCHEMBL22020163 0.79 KMT2A (0.50) ERN1CYP1A2ERBB2FYNMAOA
SCHEMBL52121 0.77 ALDH1A1 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29463321 0.77 ALDH1A1 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL30558901 0.77 ALDH1A1 (0.48) CYP1A2ERBB2FYNMAOAACHE
Pyrene SCHEMBL20472222 0.77 ALDH1A1 (0.48) CYP1A2ERBB2FYNMAOAACHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784910-B Ratio type fluorescent probe for detecting formaldehyde and preparation method and application thereof 浙江工业大学 2024-04-02 CN claimed
CN-115784910-A Ratiometric fluorescent probe for detecting formaldehyde and preparation method and application thereof 浙江工业大学 2023-03-14 CN claimed
CN-108641713-B Fluorescent probe for detecting hypochlorite ions and preparation method and application thereof 济南大学 2020-06-05 CN claimed
CN-115784910-B Ratio type fluorescent probe for detecting formaldehyde and preparation method and application thereof 浙江工业大学 2024-04-02 CN disclosed
CN-115784910-A Ratiometric fluorescent probe for detecting formaldehyde and preparation method and application thereof 浙江工业大学 2023-03-14 CN disclosed