SCHEMBL29612121

SCHEMBL29612121

CCCCCC(C)CCCCCCCCCCCCOc1cc(CBr)c(OCCCCCCCCCCCCC(C)CCCCC)cc1CBr

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.39
PPARA Q07869 2/20 0.39
TLR8 Q9NR97 2/20 0.38
ACE2 Q9BYF1 1/20 0.38
HTR2A P28223 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
S1PR3 Q99500 1/20 0.36
PTPN11 Q06124 1/20 0.36
HTR1B P28222 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL29612144 1.00 PPARG (0.39) PPARGPPARATLR8ACE2HTR2A
SCHEMBL29612251 0.97 HTR2A (0.37) PPARGPPARATLR8ACE2HTR2A
SCHEMBL29611668 0.97 HTR2A (0.37) PPARGPPARATLR8ACE2HTR2A
SCHEMBL29611752 0.94 PPARG (0.34) PPARGPPARATLR8ACE2HTR2A
SCHEMBL3277560 0.90 MAPT (0.42) TLR8HTR2AALDH1A1GAAMAPT
SCHEMBL7718276 0.90 MAPT (0.42) TLR8HTR2AALDH1A1GAAMAPT
SCHEMBL4600904 0.90 MAPT (0.42) TLR8HTR2AALDH1A1GAAMAPT
SCHEMBL5981361 0.90 MAPT (0.42) TLR8HTR2AALDH1A1GAAMAPT
SCHEMBL28594737 0.86 SIGMAR1 (0.39) PPARGPPARATLR8ALDH1A1GAA
SCHEMBL28591548 0.86 SIGMAR1 (0.39) PPARGPPARATLR8ALDH1A1GAA

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