SCHEMBL4975385

SCHEMBL4975385

CC(=O)c1ccccc1C(=O)C(=O)c1ccccc1C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
NSD2 O96028 1/20 0.48
KMT2A Q03164 1/20 0.48
MCL1 Q07820 1/20 0.48
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
PBRM1 Q86U86 1/20 0.43
CYP2C19 P33261 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41

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
SCHEMBL279655 0.91 ALDH1A1 (0.53) KDM4EPOLBMAPTMEN1NSD2
SCHEMBL27888980 0.89 CES2 (0.61) CES2CES1MAPTSMN1; SMN2LMNA
SCHEMBL9008317 0.88 ALDH1A1 (0.50) KDM4EPOLBMAPTMEN1NSD2
SCHEMBL11373632 0.88 ALDH1A1 (0.50) KDM4EPOLBMAPTMEN1NSD2
SCHEMBL7596837 0.88 ALDH1A1 (0.50) KDM4EPOLBMAPTMEN1NSD2
SCHEMBL29875901 0.87 POLB (0.57) CES2CES1KDM4EPOLBMAPT
SCHEMBL8864751 0.85 ALDH1A1 (0.40) CES2CES1KDM4EPOLBMAPT
SCHEMBL9520491 0.83 ALDH1A1 (0.50) KDM4EPOLBMAPTMEN1NSD2
SCHEMBL1099217 0.83 ALDH1A1 (0.46) KDM4EPOLBMAPTMEN1NSD2
SCHEMBL286653 0.81 ALDH1A1 (0.74) KDM4EPOLBMAPTKMT2AALDH1A1

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
US-20080160206-A1 DENTAL COMPOSITES BASED ON X-RAY-OPAQUE MIXED OXIDES PREPARED BY FLAME SPRAYING BURTSCHER PETER 2008-07-03 US disclosed
US-7335250-B2 Dental composites based on X-ray-opaque mixed oxides prepared by flame spraying IVOCLAR VIVADENT AG (DE) 2008-02-26 US disclosed
US-20050176843-A1 Dental composites based on X-ray-opaque mixed oxides prepared by flame spraying IVOCLAR VIVADENT AG (DE) 2005-08-11 US disclosed
US-4634602-A COIL COATINGS; RADIATION SENSITIVE COMPOUND, RADIATION INSENSITIVE COMPOUND AND CROSSLINKING AGENT PPG INDUSTRIES, INC. (US) 1987-01-06 US disclosed