SCHEMBL3019944

SCHEMBL3019944

C=CCc1cc(OB(O)O)c(CC=C)c(CC=C)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
CASP6 P55212 1/20 0.34
GFER P55789 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 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
SCHEMBL3019941 1.00 MEN1 (0.34) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL3019558 0.89 MEN1 (0.34) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL3019557 0.89 MEN1 (0.34) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL3015467 0.76 CYP3A4 (0.31) POLBGABRA1GABRB2
SCHEMBL3004710 0.70 CNR2 (0.33) POLBL3MBTL1
SCHEMBL3017466 0.70 CNR2 (0.33) POLBL3MBTL1
SCHEMBL2938726 0.70 PTGDR (0.34) POLBALDH1A1GABRA1GABRB2
SCHEMBL3008386 0.69 CNR2 (0.40) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL3015824 0.68 CNR2 (0.37) L3MBTL1GABRA1GABRB2
SCHEMBL8468779 0.68 HTT (0.33) MEN1KMT2APOLBALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226060-B1 CEMENT FOR DENTAL APPLICATIONS KURARAY NORITAKE DENTAL INC (JP) 2020-03-04 EP disclosed
US-8552088-B2 Cement for dental applications KURARAY NORITAKE DENTAL INC. (JP) 2013-10-08 US disclosed
US-20100267856-A1 CEMENT FOR DENTAL APPLICATIONS KURARAY MEDICAL INC. (JP) 2010-10-21 US disclosed
EP-2226060-A1 CEMENT FOR DENTAL APPLICATIONS Kuraray Medical Inc. (JP) 2010-09-08 EP disclosed