SCHEMBL11668488

SCHEMBL11668488

CC(CN1CCOCC1)C(=O)N(C)C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
LMNA P02545 1/20 0.51
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 1/20 0.43
ANPEP P15144 1/20 0.42
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL9512804 0.81 ALDH1A1 (0.72) ALDH1A1LMNAUSP2L3MBTL1MAPT
SCHEMBL500091 0.79 ALDH1A1 (0.96) ALDH1A1LMNAUSP2L3MBTL1MAPT
SCHEMBL14276784 0.79 ALDH1A1 (0.70) ALDH1A1LMNAUSP2L3MBTL1ANPEP
SCHEMBL7979638 0.78 ALDH1A1 (0.68) ALDH1A1LMNAUSP2L3MBTL1ANPEP
SCHEMBL27899777 0.78 ALDH1A1 (0.93) ALDH1A1LMNAUSP2L3MBTL1MAPT
SCHEMBL7979632 0.78 ALDH1A1 (0.68) ALDH1A1LMNAUSP2L3MBTL1ANPEP
SCHEMBL10081165 0.77 ALDH1A1 (0.42) ALDH1A1LMNAUSP2MAPTKDM4E
SCHEMBL13895441 0.76 ALDH1A1 (0.66) ALDH1A1LMNAUSP2L3MBTL1ANPEP
SCHEMBL1817377 0.76 ALDH1A1 (0.66) ALDH1A1LMNAUSP2L3MBTL1ANPEP
SCHEMBL1816293 0.75 ALDH1A1 (0.64) ALDH1A1LMNAUSP2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4012445-A Beta-amino carbonyl catalysts for polyurethane preparation UNION CARBIDE CORPORATION (US) 1977-03-15 US disclosed
US-4011223-A POLYMERIZATION CATALYSTS, POLYURETHANES UNION CARBIDE CORPORATION (US) 1977-03-08 US disclosed
US-3954749-A MORPHOLINE DERIVATIVES OF AMIDES UNION CARBIDE CORPORATION (US) 1976-05-04 US disclosed