SCHEMBL1939486

SCHEMBL1939486

C=C(C)C(=O)Oc1ccc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.49
ADK P55263 1/20 0.49
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
NCEH1 Q6PIU2 9/20 0.42
DHFR P00374 1/20 0.41
PGR P06401 1/20 0.40
GAA P10253 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
ELANE P08246 1/20 0.39
WDR5 P61964 1/20 0.38

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
SCHEMBL12416577 0.90 MAPT (0.53) MAPTALDH1A1RAB9ASMN1; SMN2NCEH1
SCHEMBL4366187 0.87 GSK3B (0.59) GSK3BADKMAPTALDH1A1MEN1
SCHEMBL30448667 0.87 GSK3B (0.59) GSK3BADKMAPTALDH1A1MEN1
SCHEMBL28421323 0.84 ALDH1A1 (0.46) GSK3BADKMAPTALDH1A1MEN1
SCHEMBL9138035 0.83 GSK3B (0.48) GSK3BADKMAPTALDH1A1MEN1
SCHEMBL9138037 0.82 GSK3B (0.47) GSK3BADKMAPTALDH1A1MEN1
SCHEMBL29373404 0.80 ALDH1A1 (0.60) ALDH1A1MEN1RAB9AKMT2APGR
SCHEMBL67480 0.80 ALDH1A1 (0.60) ALDH1A1MEN1RAB9AKMT2APGR
SCHEMBL3854872 0.80 GSK3B (0.40) GSK3BADKMAPTALDH1A1NCEH1
SCHEMBL8723116 0.79 NCEH1 (0.46) MAPTALDH1A1RAB9ASMN1; SMN2NCEH1

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
EP-2331046-A2 DENTAL COMPOSITION COMPRISING BIPHENYL DI(METH)ACRYLATE MONOMER 3M Innovative Properties Company (US) 2011-06-15 EP disclosed
WO-2010027676-A2 DENTAL COMPOSITION COMPRISING BIPHENYL DI(METH)ACRYLATE MONOMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-03-11 WO disclosed