SCHEMBL25803000

SCHEMBL25803000

C=CCOCC(=C)C(=O)OCCOCCOc1ccc(C(C)(C)c2ccc(OCCOCCOC(=O)C(=C)COCC=C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.44
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
GAA P10253 2/20 0.43
POLB P06746 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.36
APEX1 P27695 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL13963149 0.86 POLB (0.46) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL352600 0.84 THRB (0.52) KDM4EALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL352190 0.82 THRB (0.55) KDM4EALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL19770676 0.80 POLB (0.52) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL31351511 0.80 POLB (0.52) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL4453444 0.80 POLB (0.52) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL8755135 0.80 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL25803009 0.78 ALDH1A1 (0.44) ALDH1A1TDP1THRB
SCHEMBL25803012 0.78 ALDH1A1 (0.44) ALDH1A1TDP1THRB
SCHEMBL25803015 0.78 ALDH1A1 (0.44) ALDH1A1TDP1THRB

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
US-20230220142-A1 ACTIVE-ENERGY-RAY-CURABLE RESIN COMPOSITION AND CURED PRODUCT THEREOF NIPPON SHOKUBAI CO., LTD. (JP) 2023-07-13 US disclosed
US-20230220142-A1 ACTIVE-ENERGY-RAY-CURABLE RESIN COMPOSITION AND CURED PRODUCT THEREOF NIPPON SHOKUBAI CO., LTD. (JP) 2023-07-13 US disclosed