SCHEMBL3134741

SCHEMBL3134741

CCCCCCOc1c(CC)cccc1COc1cccc(-c2ncncn2)c1OCc1cccc(CC)c1OCCCCCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.34
MCHR1 Q99705 2/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
BCHE P06276 2/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 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
SCHEMBL1697181 0.87 LMNA (0.37) LMNAMAPT
SCHEMBL3434962 0.77 ELANE (0.33) LMNAMAPT
SCHEMBL1372005 0.74 LMNA (0.36) LMNACYP3A4MAPT
SCHEMBL2709504 0.74 CYP1A2 (0.41) CYP3A4MAPTBCHEALOX5PDE5A
SCHEMBL27600953 0.74 CYP1A2 (0.51) MCHR1LMNAMEN1NR1I2CHRM2
SCHEMBL17294439 0.72 THRA (0.35) MCHR1
SCHEMBL404718 0.72 PPARA (0.41) MCHR1LMNACYP3A4MAPTALOX5
SCHEMBL4248262 0.69 SOAT1 (0.40)
SCHEMBL28113968 0.68 CYP1A2 (0.57) MCHR1PDE5APDE4APDE4BPDE4C
SCHEMBL28293909 0.68 TSHR (0.41) LMNAMEN1NR1I2CHRM2CYP3A4

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-2015727-B1 WATER RESISTANT SUNSCREEN FORMULATIONS WITH SULFOPOLYESTERS AND PHOSPHATE ESTER SURFACTANTS EASTMAN CHEM CO (US) 2010-01-06 EP disclosed
US-20070264216-A1 Water resistant sunscreen formulas with sulfopolyesters and phosphate ester surfactants EASTMAN CHEMICAL COMPANY 2007-11-15 US disclosed