SCHEMBL6729528

SCHEMBL6729528

CC=C(NC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
GLO1 Q04760 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
MAPT P10636 2/20 0.39
TRPA1 O75762 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 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
SCHEMBL10656434 1.00 NPSR1 (0.43) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL23607713 0.84 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL29176089 0.84 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL22620309 0.84 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL19780145 0.83 ALDH1A1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL18723091 0.83 NPSR1 (0.41) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL516351 0.83 NPSR1 (0.41) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL19609708 0.81 NPSR1 (0.39) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL8081528 0.80 EGLN1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL8081526 0.80 EGLN1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040261198-A1 Restructuring and finishing of keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-12-30 US claimed
US-20040261198-A1 Restructuring and finishing of keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-12-30 US disclosed
US-4964896-A GAMETOCIDES MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4936904-A Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain plants MONSANTO TECHNOLOGY LLC 1990-06-26 US disclosed
US-4762853-A 1-oxo-1,3,4,7-tetrahydrobenzo[C]furans BAYER AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
US-4725679-A HERBICIDE INTERMEDIATES HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-16 US disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed
US-4668691-A Circulation-active novel 7-aryl-or pyridyl-1-oxo-1,c,4,7-tetrahydrobenzofurans BAYER AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed
US-4622332-A Asymmetric diesters of Hantzsch dihydropyridines with hypotensive activity BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 US disclosed
US-3933834-A CARDIOVASCULAR AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed