SCHEMBL29611752

SCHEMBL29611752

CCCC(C)CCCCCCCCCOc1cc(CBr)c(OCCCCCCCCCC(C)CCC)cc1CBr

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.34
PPARA Q07869 2/20 0.34
HTR1B P28222 1/20 0.33
TLR8 Q9NR97 2/20 0.33
LTB4R Q15722 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR2A P28223 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
S1PR3 Q99500 1/20 0.31
PTPN11 Q06124 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL29612121 0.94 PPARG (0.39) PPARGPPARAHTR1BTLR8ALDH1A1
SCHEMBL29612144 0.94 PPARG (0.39) PPARGPPARAHTR1BTLR8ALDH1A1
SCHEMBL29612251 0.94 HTR2A (0.37) PPARGPPARAHTR1BTLR8ALDH1A1
SCHEMBL29611668 0.94 HTR2A (0.37) PPARGPPARAHTR1BTLR8ALDH1A1
SCHEMBL28600084 0.86 SIGMAR1 (0.34) PPARGPPARAHTR1BALDH1A1GAA
SCHEMBL3277560 0.83 MAPT (0.42) TLR8ALDH1A1GAAMAPTTHRB
SCHEMBL4600904 0.83 MAPT (0.42) TLR8ALDH1A1GAAMAPTTHRB
SCHEMBL7718276 0.83 MAPT (0.42) TLR8ALDH1A1GAAMAPTTHRB
SCHEMBL5981361 0.83 MAPT (0.42) TLR8ALDH1A1GAAMAPTTHRB
SCHEMBL28601368 0.80 SIGMAR1 (0.37) PPARGPPARAALDH1A1GAAMAPT

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-113105570-B Liquid two-photon initiator and preparation method and application thereof 之江实验室 2022-05-03 CN disclosed