SCHEMBL2519772

SCHEMBL2519772

C=C(OCC)C(=O)OCC(CC)(COC(=O)C(=C)OCC)COC(=O)C(=C)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
ALDH1A1 P00352 7/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
GLO1 Q04760 1/20 0.31
TRPA1 O75762 1/20 0.31
CASP1 P29466 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4583431 0.91 ALDH1A1 (0.39) THRBALDH1A1TSHRMAPTLMNA
SCHEMBL18539082 0.84 ALDH1A1 (0.47) THRBALDH1A1TSHRMAPTLMNA
SCHEMBL16708640 0.81 THRB (0.38) THRBALDH1A1TSHRLMNAHSD17B10
SCHEMBL94679 0.80 ALDH1A1 (0.54) THRBALDH1A1TSHRMAPTLMNA
SCHEMBL906346 0.80 HTT (0.42) THRBALDH1A1TSHRMAPTLMNA
SCHEMBL23636 0.79 THRB (0.48) THRBALDH1A1TSHRMAPTLMNA
SCHEMBL28149678 0.79 THRB (0.48) THRBALDH1A1TSHRMAPTLMNA
Hydrochloric Acid SCHEMBL27667582 0.78 ALDH1A1 (0.52) THRBALDH1A1TSHRMAPTLMNA
SCHEMBL8202338 0.78 THRB (0.41) THRBALDH1A1TSHRMAPTTP53
SCHEMBL5884750 0.78 THRB (0.47) THRBALDH1A1TSHRMAPTLMNA

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
US-20110250453-A1 PHOTONIC CRYSTALS COMPOSED OF POLYMER PARTICLES WITH INTERPARTICULATE INTERACTION BASF SE (DE) 2011-10-13 US disclosed