SCHEMBL3645142

SCHEMBL3645142

CC(=O)C1CCCC1.CCOC(=O)C(C(=O)OCC)C(=O)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP6 P55212 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
SCHEMBL942071 0.93 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP2D6NPSR1
SCHEMBL2001451 0.89 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP2D6NPSR1
SCHEMBL22658080 0.88 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACYP2D6NPSR1
SCHEMBL1645785 0.86 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP2D6NPSR1
SCHEMBL4940887 0.85 SOAT1 (0.41) ALDH1A1MAPTL3MBTL1LMNAHSD17B10
SCHEMBL1085238 0.80 ALDH1A1 (0.38) ALDH1A1CYP2D6MAPTL3MBTL1LMNA
SCHEMBL4481930 0.75 TP53 (0.37) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3645141 0.74 MAPT (0.35) ALDH1A1MAPTHPGDLMNA
Hydrochloric Acid SCHEMBL22683491 0.74 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACYP2D6NPSR1
SCHEMBL13437369 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP2D6NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173749-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G Limited (GB) 2010-04-14 EP disclosed
WO-2008145963-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2008-12-04 WO disclosed