SCHEMBL9256231

SCHEMBL9256231

C=C(NC(N)=O)C(=O)ONC(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 3/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CAD P27708 1/20 0.33
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
NFKB1 P19838 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
SCHEMBL23301669 0.89 ALDH1A1 (0.36) ALOX15CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7174767 0.86 ALOX15 (0.38) ALOX15CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL21681129 0.83 ALOX15 (0.44) ALOX15ALDH1A1TSHRGAAMGAM
SCHEMBL27727120 0.82 ALOX15 (0.43) ALOX15CYP1A2CYP2C9CYP2C19ALDH1A1
Acrylic Acid SCHEMBL27677074 0.81 GAA (0.34) ALOX15CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1903530 0.80 ALOX15 (0.44) ALOX15CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20815 0.78 THRB (0.46) ALOX15CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28623879 0.78 ALDH1A1 (0.38) ALOX15CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL14976946 0.78 ALDH1A1 (0.38) ALOX15CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL27869388 0.77 ALDH1A1 (0.37) ALOX15CYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507053-B1 Aqueous, photocurable urethaneacrylate dispersions HUELS CHEMISCHE WERKE AG (DE) 1995-08-02 EP claimed
JP-5222145-A None JP disclosed
CN-104684727-B Barrier film constructions and methods of making same 3M创新有限公司 2017-05-17 CN disclosed
JP-H05222145-A PREPARATION OF RADIATION-CURABLE URETHANE ACRYLATE AQUEOUS DISPERSION HUELS AG 1993-08-31 JP disclosed
EP-0283968-A2 Polyurea-polyurethane acrylate dispersions PPG INDUSTRIES, INC. (US) 1988-09-28 EP disclosed
US-4721751-A ADHESIVES, SEALS PPG INDUSTRIES, INC. (US) 1988-01-26 US disclosed
US-4108840-A Urea-urethane-acrylate radiation curable coating compositions and methods of making same PPG INDUSTRIES, INC. (US) 1978-08-22 US disclosed