SCHEMBL8081528

SCHEMBL8081528

CC=C(NCC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
GLO1 Q04760 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MAPT P10636 2/20 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL8081526 1.00 EGLN1 (0.44) EGLN1NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL17499010 0.82 TET2 (0.37) EGLN1ALDH1A1KMT2ATSHR
SCHEMBL10899308 0.80 ACHE (0.48) EGLN1
SCHEMBL10656434 0.80 NPSR1 (0.43) EGLN1NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL6729528 0.80 NPSR1 (0.43) EGLN1NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL7973682 0.79 HPGD (0.40) EGLN1NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL25830084 0.79 NPSR1 (0.40) EGLN1NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL8469504 0.77 EPHX1 (0.50) TSHR
SCHEMBL17266496 0.77 NPSR1 (0.45) EGLN1NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL13705535 0.77 NPSR1 (0.45) EGLN1NPSR1GLO1ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6015820-A VIRICIDES; AIDS TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-01-18 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-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed