SCHEMBL65777

SCHEMBL65777

C=C(C)C(=O)Oc1cc(C(=O)O)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.44
KDM4E B2RXH2 7/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
ELANE P08246 1/20 0.41
HSD17B10 Q99714 6/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
USP2 O75604 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
GGT1 P19440 1/20 0.39
BLM P54132 1/20 0.39
NAPRT Q6XQN6 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
SCHEMBL29852036 0.85 THRB (0.41) CFDKDM4ELCKFYNELANE
SCHEMBL1355426 0.82 KDM4E (0.39) CFDKDM4ELCKFYNELANE
SCHEMBL4863909 0.79 KDM4E (0.53) CFDKDM4EELANEHSD17B10TSHR
SCHEMBL5323841 0.79 CFD (0.51) CFDKDM4EELANEHSD17B10TSHR
SCHEMBL4865593 0.79 TSHR (0.53) CFDKDM4EELANEHSD17B10TSHR
SCHEMBL65400 0.79 CA12 (0.39) CFDKDM4ELCKFYNELANE
SCHEMBL2424121 0.78 ELANE (0.39) CFDKDM4ELCKFYNELANE
SCHEMBL3800839 0.78 ALDH1A1 (0.63) CFDKDM4EELANEHSD17B10TSHR
SCHEMBL3803677 0.78 ALDH1A1 (0.50) CFDKDM4EELANEHSD17B10TSHR
SCHEMBL14339914 0.78 KDM4E (0.49) CFDKDM4EELANEHSD17B10TSHR

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-8129443-B2 Inorganic oxide nanoparticles having an X-ray contrast property and high transparency, a functionalized silanediol monomeric or oligomeric surface modifier, and a polymerizable compound; dental composites SUN MEDICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20050123762-A1 Polymerizable composition, cured object obtained therefrom, and composite material SUN MEDICAL CO., LTD. (JP) 2005-06-09 US disclosed