SCHEMBL7576541

SCHEMBL7576541

CCCCOC(=O)C(CC)N(C(C)=O)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
FAAH O00519 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 3/20 0.37
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
ESR1 P03372 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7571655 0.86 TSHR (0.42) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL7401889 0.84 ALDH1A1 (0.40) TSHRL3MBTL1CYP3A4ALDH1A1LMNA
SCHEMBL7573230 0.82 TSHR (0.45) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL6136648 0.80 MEN1 (0.38) L3MBTL1CYP3A4ALDH1A1LMNARAB9A
SCHEMBL7569876 0.80 FAAH (0.39) TSHRL3MBTL1TDP1FAAHMAPK1
SCHEMBL7574293 0.78 LTB4R2 (0.40) TSHRL3MBTL1TDP1FAAHALDH1A1
SCHEMBL7567614 0.78 RAB9A (0.34) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL7567342 0.76 CETP (0.40) TSHRL3MBTL1TDP1CYP3A4MAPK1
SCHEMBL7570565 0.76 ALDH1A1 (0.47) TSHRL3MBTL1TDP1MAPK1ALDH1A1
SCHEMBL7572658 0.75 L3MBTL1 (0.39) TSHRL3MBTL1TDP1CYP3A4MAPK1

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