SCHEMBL20879853

SCHEMBL20879853

Ic1ccc(Oc2ccc(Nc3ccc(Oc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
MAPK1 P28482 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PGR P06401 3/20 0.47
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
ERBB2 P04626 1/20 0.46
KDR P35968 1/20 0.46
TEK Q02763 1/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL17948198 0.89 LTA4H (0.63) LTA4HTSHRALDH1A1HSD17B10ALOX15
SCHEMBL14435643 0.89 LTA4H (0.63) LTA4HTSHRALDH1A1HSD17B10ALOX15
SCHEMBL7514685 0.87 ALDH1A1 (0.65) LTA4HTSHRALDH1A1HSD17B10ALOX15
SCHEMBL4698 0.87 LTA4H (0.67) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL8626416 0.84 ALDH1A1 (0.68) LTA4HTSHRALDH1A1HSD17B10ALOX15
SCHEMBL13308524 0.84 ALDH1A1 (0.68) LTA4HTSHRALDH1A1HSD17B10ALOX15
SCHEMBL9440409 0.82 ALDH1A1 (0.72) TSHRALDH1A1HSD17B10ALOX15ALOX12
SCHEMBL16343963 0.81 LTA4H (0.52) LTA4HTSHRALDH1A1HSD17B10ALOX15
SCHEMBL18657532 0.79 ALDH1A1 (0.67) LTA4HTSHRALDH1A1HSD17B10ALOX15
SCHEMBL8640958 0.78 ALDH1A1 (0.59) LTA4HTSHRALDH1A1HSD17B10ALOX15

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
EP-3247770-B1 ORGANIC MOLECULES, IN PARTICULAR, FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2019-04-10 EP disclosed