SCHEMBL9244451

SCHEMBL9244451

C#CCO.CCOC(=O)C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
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
EGLN1 Q9GZT9 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL23824 0.84
Water SCHEMBL27549411 0.82
SCHEMBL11341106 0.73
SCHEMBL2106400 0.71 ALDH1A1 (0.43) ALDH1A1TSHRNPSR1GLO1LMNA
Methacrylic Acid SCHEMBL9242878 0.71 ALDH1A1 (0.44) ALDH1A1TSHRNPSR1GLO1LMNA
SCHEMBL7667031 0.70
Allylamine SCHEMBL9244215 0.69 NPSR1 (0.39) ALDH1A1TSHRNPSR1GLO1LMNA
SCHEMBL9572187 0.69 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1GLO1LMNA
SCHEMBL11146185 0.69 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1GLO1LMNA
SCHEMBL9572183 0.69 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1GLO1LMNA

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-5442096-A Compound contains a alpha-ketoester and a polymerizable double bond NIPPON PAINT CO., LTD. (JP) 1995-08-15 US disclosed
US-5248749-A Adhesives and coatings NIPPON PAINT CO., LTD. (JP) 1993-09-28 US disclosed
US-5117044-A Unsaturated ester NIPPON PAINT CO., LTD. (JP) 1992-05-26 US disclosed