SCHEMBL28439743

SCHEMBL28439743

[NaH].c1ccc(-c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.61
TSHR P16473 1/20 0.61
GSTP1 P09211 1/20 0.54
ALDH1A1 P00352 2/20 0.53
NR1H2 P55055 1/20 0.52
BAX Q07812 1/20 0.52
MAOA P21397 1/20 0.52
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 1/20 0.48
NPC1 O15118 1/20 0.47
SCN4A P35499 1/20 0.47
RAB9A P51151 1/20 0.47
MCL1 Q07820 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 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
SCHEMBL10686173 0.97 LTA4H (0.65) LTA4HTSHRGSTP1ALDH1A1NR1H2
SCHEMBL3681820 0.97 LTA4H (0.65) LTA4HTSHRGSTP1ALDH1A1NR1H2
SCHEMBL2856821 0.97 LTA4H (0.65) LTA4HTSHRGSTP1ALDH1A1NR1H2
SCHEMBL28431578 0.94 LTA4H (0.61) LTA4HTSHRGSTP1ALDH1A1NR1H2
SCHEMBL21921128 0.94 LTA4H (0.71) LTA4HTSHRGSTP1ALDH1A1NR1H2
Biphenyl SCHEMBL10838288 0.94 LTA4H (0.71) LTA4HTSHRGSTP1ALDH1A1NR1H2
SCHEMBL403667 0.94 LTA4H (0.71) LTA4HTSHRGSTP1ALDH1A1NR1H2
SCHEMBL9190364 0.94 LTA4H (0.71) LTA4HTSHRGSTP1ALDH1A1NR1H2
SCHEMBL28436317 0.94 LTA4H (0.61) LTA4HTSHRGSTP1ALDH1A1NR1H2
SCHEMBL31588897 0.92 LTA4H (0.67) LTA4HTSHRGSTP1ALDH1A1NR1H2

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-107250209-B Polycarbonate and liquid crystalline polymer blends 沙特基础工业全球技术公司 2020-06-26 CN disclosed