SCHEMBL28070720

SCHEMBL28070720

CCCCCOc1ccsc1-c1ccc(-c2cccs2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.45
LTA4H P09960 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
MCHR1 Q99705 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 3/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL19351841 0.89 MCHR1 (0.40) LTA4HALDH1A1KDM4EMCHR1NPC1
SCHEMBL15401900 0.89 MCHR1 (0.40) LTA4HALDH1A1KDM4EMCHR1NPC1
SCHEMBL29142631 0.84 TLR8 (0.35) DPP4ALDH1A1KDM4EMCHR1NPC1
SCHEMBL13311022 0.81 DPP4 (0.45) DPP4LTA4HALDH1A1KDM4EMCHR1
SCHEMBL11983236 0.81 DPP4 (0.45) DPP4LTA4HALDH1A1KDM4EMCHR1
SCHEMBL13410244 0.81 MCHR1 (0.37) MCHR1CYP3A4
SCHEMBL14264678 0.79 DPP4 (0.48) DPP4LTA4HALDH1A1KDM4EMCHR1
SCHEMBL8520184 0.79 MAPT (0.40) LTA4HALDH1A1MCHR1MAPTLMNA
SCHEMBL5133914 0.77 NR5A1 (0.43) LTA4HALDH1A1MCHR1MAPTLMNA
SCHEMBL1279017 0.77 NR5A1 (0.43) LTA4HALDH1A1MCHR1MAPTLMNA

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-103604839-B The wireless gas concentration sensor of function is fallen into based on ultra wide band 西安科技大学 2016-06-15 CN disclosed