SCHEMBL13029976

SCHEMBL13029976

CCCCCCCCCCCCCC(=O)OC(COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 8/20 0.45
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TLR4 O00206 4/20 0.40
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
RECQL P46063 1/20 0.37
ENPP2 Q13822 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36

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
SCHEMBL13029974 0.93 TLR2 (0.42) TLR2ALDH1A1LMNATLR4MAPT
SCHEMBL13030041 0.93 TLR2 (0.41) TLR2ALDH1A1LMNATLR4MAPT
SCHEMBL9697547 0.92 ALDH1A1 (0.45) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL13030065 0.89 TLR2 (0.43) TLR2ALDH1A1LMNATLR4PPARG
SCHEMBL13030064 0.89 TLR2 (0.39) TLR2ALDH1A1LMNATLR4MAPT
SCHEMBL13786816 0.89 TLR2 (0.40) TLR2ALDH1A1LMNATLR4MAPT
SCHEMBL13030040 0.88 TLR2 (0.39) TLR2ALDH1A1LMNATLR4MAPT
SCHEMBL13030034 0.86 TLR2 (0.39) TLR2ALDH1A1LMNATLR4PPARG
SCHEMBL13030043 0.86 TLR2 (0.46) TLR2TLR4
SCHEMBL30994622 0.84 LMNA (0.37) TLR2ALDH1A1LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833993-B2 Immunomodulatory compounds and methods of use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-7560584-B2 Immunomodulatory compounds and methods of use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-14 US disclosed