SCHEMBL28034499

SCHEMBL28034499

CCCCCCOc1cc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2cc1OCCCCCC)-c1ccccc1-6)c1cc(OCCCCCC)c(OCCCCCC)cc51)-c1ccccc1-4

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.46
PDE4A P27815 4/20 0.46
PDE4B Q07343 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
TLR8 Q9NR97 2/20 0.44
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
PTPN11 Q06124 1/20 0.40
SMPD1 P17405 3/20 0.39
MCHR1 Q99705 1/20 0.39
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL28035087 1.00 PDE5A (0.46) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8448199 0.91 SMPD1 (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1392449 0.91 SMPD1 (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL30311148 0.91 SMPD1 (0.39) PDE5APDE4APDE4BPDE4CPDE4D
Zinc Ion SCHEMBL1392695 0.89 SMPD1 (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1619886 0.89 SMPD1 (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL15859541 0.89 SMPD1 (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1393356 0.89 SMPD1 (0.38) PDE5APDE4APDE4BPDE4CPDE4D
Water SCHEMBL1393371 0.88 SMPD1 (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5707000 0.84 PDE5A (0.45) PDE5APDE4APDE4BPDE4CPDE4D

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
CN-102863448-B A kind of Effects of Soluble Phthalocyanines, its preparation method and a kind of OTFT CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-10-07 CN disclosed