SCHEMBL5535259

SCHEMBL5535259

CC=CC(=O)OCC(O)COCC(O)COCC(O)COC(=O)C=CC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
GSTP1 P09211 1/20 0.35
HCAR2 Q8TDS4 2/20 0.34
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL347488 1.00 TSHR (0.35) TSHRGSTP1HCAR2KDM4EATM
SCHEMBL20335453 0.94 TSHR (0.39) TSHRGSTP1HCAR2KDM4EATM
SCHEMBL2866953 0.93 HSD17B10 (0.38) TSHRGSTP1HCAR2MAPTALDH1A1
SCHEMBL144845 0.92 HCAR2 (0.36) TSHRGSTP1HCAR2KDM4EATM
SCHEMBL7030841 0.91 HCAR2 (0.37) TSHRGSTP1HCAR2KDM4EATM
SCHEMBL21081994 0.91 HCAR2 (0.35) TSHRGSTP1HCAR2KDM4EATM
SCHEMBL21081997 0.91 HCAR2 (0.35) TSHRGSTP1HCAR2KDM4EATM
SCHEMBL997670 0.90 GSTP1 (0.33) TSHRGSTP1ATM
SCHEMBL996290 0.89 LPAR5 (0.37) TSHRGSTP1HCAR2KDM4EATM
SCHEMBL14874676 0.89 TSHR (0.35) TSHRGSTP1HCAR2MAPTUSP2

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-1790323-B1 Dental polymerizable core build-up material of separately packed type KURARAY NORITAKE DENTAL INC (JP) 2016-03-23 EP disclosed
EP-1790323-A1 DENTAL POLYMERIZABLE CORE BUILD-UP MATERIAL OF SEPARATELY PACKED TYPE Kuraray Medical Inc. (JP) 2007-05-30 EP disclosed