SCHEMBL6985931

SCHEMBL6985931

CCOC(=O)[N]CCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
MMP8 P22894 1/20 0.33
TSHR P16473 2/20 0.32
CA1 P00915 2/20 0.32
TRPA1 O75762 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.31
CAPN9 O14815 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL208139 0.78
SCHEMBL7686442 0.74 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL7692970 0.72 FAAH (0.41) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8381805 0.72 TSHR (0.42) ALDH1A1LMNAHSD17B10TSHRTP53
SCHEMBL15842868 0.72 TSHR (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL15842869 0.72 TSHR (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL421928 0.72
SCHEMBL7307380 0.71 CA1 (0.36) ALDH1A1CA1
SCHEMBL7695221 0.71 FAAH (0.43) TSHRL3MBTL1
SCHEMBL1782302 0.71 CA12 (0.41) ALDH1A1LMNAHSD17B10ALOX15GAA

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-1268434-A1 CYCLIC LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
WO-2001074784-A1 CYCLIC LACTAMS AS INHIBITORS OF A-β PROTEIN PRODUCTION DUPONT PHARMACEUTICALS COMPANY (US) 2001-10-11 WO disclosed