SCHEMBL29026525

SCHEMBL29026525

O=C(O)C(OCCOCCO)c1ccccc1.O=C(OCCOCCOC(C(=O)O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARA Q07869 7/20 0.36
PPARG P37231 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL29277808 0.95 KDM4E (0.40) GLSKDM4EPPARAPPARGSMN1; SMN2
SCHEMBL29194859 0.93 GLS (0.38) GLSKDM4ESMN1; SMN2PTGS1PTGS2
SCHEMBL13311313 0.87 GLS (0.43) GLSKDM4EPPARASMN1; SMN2ALDH1A1
SCHEMBL13875404 0.85 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL194429 0.85 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL30458207 0.80 KDM4E (0.36) KDM4ESMN1; SMN2PTGS1PTGS2ALDH1A1
SCHEMBL3312136 0.79 CES2 (0.50) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL13982035 0.79 CES2 (0.50) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL30478610 0.79 CES2 (0.50) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL665971 0.79 CES2 (0.50) KDM4ESMN1; SMN2ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348295-A Ultraviolet curable resin composition 电化株式会社 2023-06-27 CN disclosed
CN-116323200-A Ultraviolet curable resin composition 电化株式会社 2023-06-23 CN disclosed