SCHEMBL7573230

SCHEMBL7573230

CCCCOC(=O)C(CC)N(C(C)=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
LMNA P02545 4/20 0.40
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7569876 0.86 FAAH (0.39) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL7576950 0.86 POLB (0.40) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL7571120 0.86 ALDH1A1 (0.39) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL7567342 0.85 CETP (0.40) TSHRL3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL7574293 0.85 LTB4R2 (0.40) TSHRL3MBTL1TDP1ALDH1A1LMNA
SCHEMBL7571050 0.85 LMNA (0.40) TSHRL3MBTL1TDP1MAPK1LMNA
SCHEMBL7571829 0.84 GAA (0.44) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL7570460 0.84 TSHR (0.37) TSHRL3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL7571655 0.83 TSHR (0.42) TSHRL3MBTL1TDP1ALDH1A1CYP3A4
SCHEMBL7570466 0.82 MAPT (0.45) L3MBTL1TDP1ALDH1A1LMNAMEN1

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-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed