SCHEMBL9906968

SCHEMBL9906968

CCOCC(C)OC(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
AKR1C3 P42330 2/20 0.44
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABCB1 P08183 2/20 0.41
LMNA P02545 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
CDC25B P30305 1/20 0.39

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
SCHEMBL28201247 0.85 ALDH1A1 (0.52) ALDH1A1AKR1C3SCN1ASCN2ASCN3A
SCHEMBL9940061 0.85 LMNA (0.50) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL5603341 0.84 ALDH1A1 (0.48) ALDH1A1SCN1ASCN2ASCN3AL3MBTL1
SCHEMBL5602707 0.84 ALDH1A1 (0.48) ALDH1A1SCN1ASCN2ASCN3AL3MBTL1
SCHEMBL10025641 0.80 ALDH1A1 (0.39) ALDH1A1AKR1C3SCN1ASCN2ASCN3A
SCHEMBL9456728 0.79 CRHBP (0.56) ALDH1A1AKR1C3L3MBTL1CYP1A2CYP3A4
SCHEMBL12287440 0.79 ALDH1A1 (0.40) ALDH1A1AKR1C3SCN1ASCN2ASCN3A
SCHEMBL22361809 0.78 ALDH1A1 (0.78) ALDH1A1AKR1C3SCN1ASCN2ASCN3A
SCHEMBL14947114 0.78 ALDH1A1 (0.62) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL1255193 0.77 LMNA (0.54) ALDH1A1SCN1ASCN2ASCN3ATSHR

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-8637585-B2 Silsesquioxane photoinitiators BASF SE (DE) 2014-01-28 US disclosed
US-20120142793-A1 SILSESQUIOXANE PHOTOINITIATORS BASF SE (DE) 2012-06-07 US disclosed