SCHEMBL28295079

SCHEMBL28295079

C=C(C)C(=O)ONC(=O)OCC.C=C(O)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
THRB P10828 1/20 0.39
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 4/20 0.34
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP2D6 P10635 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GLO1 Q04760 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
SCHEMBL20815 0.90 THRB (0.46) ALDH1A1THRBGAAMGAMSI
SCHEMBL14976946 0.86 ALDH1A1 (0.38) ALDH1A1THRBGAAMGAMSI
SCHEMBL5513866 0.79 THRB (0.38) ALDH1A1THRBGAAMGAMSI
SCHEMBL28623879 0.79 ALDH1A1 (0.38) ALDH1A1THRBGAAMGAMSI
SCHEMBL2942278 0.79 ALDH1A1 (0.60) ALDH1A1THRBGAAMGAMSI
SCHEMBL8389758 0.77 ALDH1A1 (0.47) ALDH1A1THRBGAAMGAMSI
Hydroquinone SCHEMBL27778449 0.76 MIF (0.46) ALDH1A1GAATSHRLMNAHSD17B10
SCHEMBL4630934 0.76 TSHR (0.46) ALDH1A1THRBTSHRKDM4ESMN1; SMN2
SCHEMBL28231675 0.76 ALDH1A1 (0.38) ALDH1A1THRBGAAMGAMSI
Methacrylic Acid SCHEMBL8094675 0.76 ALDH1A1 (0.56) ALDH1A1THRBGAAMGAMSI

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
CN-105176154-B The product of photo-curable coating composition and coating 信越化学工业株式会社 2019-05-28 CN disclosed