SCHEMBL10779755

SCHEMBL10779755

CCOC(CO)Oc1ccc(C(F)(F)C(F)(F)c2ccc(OC(CO)OCC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.34
PPARG P37231 3/20 0.34
PTPN5 P54829 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 2/20 0.33
SLC6A4 P31645 5/20 0.31
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
LMNA P02545 4/20 0.31
SLC6A2 P23975 4/20 0.31
SLC6A3 Q01959 4/20 0.31
CYP3A4 P08684 3/20 0.31
HRH3 Q9Y5N1 2/20 0.31
NPC1 O15118 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
MTOR P42345 2/20 0.31
RAB9A P51151 2/20 0.31
HTR2C P28335 2/20 0.31
KCNK2 O95069 2/20 0.31

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
SCHEMBL29167472 0.83 CYP3A4 (0.51) SLC6A4MEN1KMT2ALMNASLC6A2
SCHEMBL28687387 0.78 PPARA (0.39) FFAR1PPARGPPARASLC6A4SLC6A2
SCHEMBL6040933 0.78 LTA4H (0.38) PPARGPPARDPPARASLC6A4LMNA
SCHEMBL10779474 0.76 TSHR (0.38) FFAR1PPARGPTPN5PPARDPPARA
SCHEMBL196794 0.71 KMT2A (0.37) PPARGSLC6A4MEN1KMT2ASLC6A2
SCHEMBL10779364 0.71 CYP3A4 (0.41) PPARGPTPN5PPARASLC6A4MEN1
SCHEMBL9418699 0.71 ALDH1A1 (0.49) PPARASLC6A4MEN1KMT2ALMNA
SCHEMBL7019539 0.68 PPARD (0.46) FFAR1PPARGPPARDPPARAAR
SCHEMBL9394127 0.68 PPARA (0.41) FFAR1PPARGPPARDPPARACYP2D6
SCHEMBL29167511 0.68 CYP3A4 (0.44) SLC6A4MEN1KMT2ALMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4665217-A DENTAL FILLERS AND COATINGS BAYER AKTIENGESELLSCHAFT (DE) 1987-05-12 US disclosed