Mecrylate

Mecrylate

SCHEMBL8465653

C=C(C#N)C(=O)OC.N#CC=CC(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
HCAR2 Q8TDS4 4/20 0.39
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
Mecrylate SCHEMBL28005041 0.82 ALDH1A1 (0.52) ALDH1A1TSHRHCAR2ALOX15HSD17B10
Mecrylate SCHEMBL15701 0.81
Mecrylate SCHEMBL28286396 0.79 ALDH1A1 (0.61) ALDH1A1TSHRMAPTTDP1
Mecrylate SCHEMBL30721295 0.79
SCHEMBL7125436 0.78 ALDH1A1 (0.45) ALDH1A1TSHRMAPT
Mecrylate SCHEMBL8083330 0.77 ALDH1A1 (0.55) ALDH1A1TSHRTDP1
SCHEMBL7585288 0.77 HCAR2 (0.60) ALDH1A1TSHRHCAR2KEAP1NFE2L2
Mecrylate SCHEMBL27978822 0.77 ALDH1A1 (0.59) ALDH1A1TSHRTDP1
Acrylic Acid SCHEMBL10969190 0.76 HCAR2 (0.35) ALDH1A1HCAR2KEAP1NFE2L2ALOX15
SCHEMBL5972487 0.76 ALDH1A1 (0.39) ALDH1A1TSHRHCAR2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994464-A ELASTOMER MISCIBLE OR COMPATIBLE WITH THE CYANOACRYLATE MONOMER AND CORE-SHELL POLYMER HAVING A RUBBERY CORE AND A SHELL OF A GLASSY POLYMER, THE CORE-SHELL POLYMER BEING COMPATIBLE BUT NOT MISCIBLE WITH THE CYANOACRYLATE MONOMER. THREE BOND., LTD. (JP) 1999-11-30 US disclosed