SCHEMBL14933249

SCHEMBL14933249

C=C(OCC(C)C)c1ccc2c3ccc(Br)c4c(C(=O)OCC(C)C)ccc(c5ccc(Br)c1c25)c43

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 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
SCHEMBL10823825 0.92 ALDH1A1 (0.54) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL29958608 0.92 ALDH1A1 (0.54) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL28853637 0.92 ALDH1A1 (0.54) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL29958486 0.92 ALDH1A1 (0.54) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL10823826 0.87 ALDH1A1 (0.49) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL28853640 0.87 ALDH1A1 (0.49) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL19167892 0.82 ALDH1A1 (0.62) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL28853665 0.76 ALDH1A1 (0.56) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL29958508 0.76 ALDH1A1 (0.56) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL29958420 0.76 ALDH1A1 (0.56) ALDH1A1TSHRMAPTSMN1; SMN2NPC1

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
WO-2013067288-A1 MICROSTRUCTURED WAVELENGTH CONVERSION FILMS FOR ENHANCED SOLAR HARVESTING EFFICIENCY NITTO DENKO CORPORATION (JP) 2013-05-10 WO disclosed