SCHEMBL28215877

SCHEMBL28215877

CCCCP(Cl)Cc1cccc(-c2ccc3ccc4cccc5ccc2c3c45)c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ERBB2 P04626 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
AHR P35869 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
SCHEMBL6058879 0.80 LPL (0.42) ALDH1A1CYP3A4HPGDTSHRHSD17B10
Bromide SCHEMBL28136119 0.75 BDKRB2 (0.45) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL27744087 0.72 PTPN11 (0.33) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL27811821 0.72 NOS1 (0.42) ALDH1A1CYP3A4HPGDTSHRHSD17B10
Bromide SCHEMBL28115757 0.71 CYP1A2 (0.39) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL29756488 0.71 CYP1A2 (0.50) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL16177320 0.71 CYP1A2 (0.50) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL4444137 0.70 HSD11B1 (0.40) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL23109412 0.69 CYP1A2 (0.48) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL6058898 0.69 TLR8 (0.43) ALDH1A1CYP3A4HPGDTSHRHSD17B10

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-106432334-B Mitochondria fluorescence probe with double fluorescent emissions and its preparation method and application 四川大学 2018-05-22 CN disclosed