SCHEMBL8398772

SCHEMBL8398772

CCCCCCCCP(CCCCCCCC)(CCCCCCCC)(CCCCCCCC)OB(OCCCC(c1ccc(C)cc1)c1ccc(C)cc1)OCCCC(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SLC2A1 P11166 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL8395239 0.95 CYP19A1 (0.35) CYP19A1PLA2G2CPTGESALOX5PPARG
SCHEMBL8398399 0.91 HTR2A (0.39) MEN1KMT2ANPSR1LMNAHTR2A
SCHEMBL8400044 0.85 HTR2A (0.41) CYP19A1LMNAHRH3HTR2APOLB
SCHEMBL8398752 0.85 CYP19A1 (0.37) CYP19A1PTGESALOX5PPARGPPARA
SCHEMBL8399116 0.79 CYP19A1 (0.38) CYP19A1MEN1KMT2ASLC6A3CNR1
SCHEMBL8397681 0.75 HRH1 (0.44) CYP19A1LMNACNR1CNR2HRH3
SCHEMBL11705969 0.75 CYP19A1 (0.46) CYP19A1MEN1KMT2ASLC2A1SLC6A3
SCHEMBL11702818 0.75 CYP19A1 (0.46) CYP19A1MEN1KMT2ASLC2A1SLC6A3
SCHEMBL11702009 0.75 CYP19A1 (0.46) CYP19A1MEN1KMT2ASLC2A1SLC6A3
SCHEMBL11705153 0.75 CYP19A1 (0.46) CYP19A1MEN1KMT2ASLC2A1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613058-B1 Light-decolorizable recording material SHOWA DENKO KK (JP) 1999-06-02 EP disclosed
US-5846682-A Light decolorizable recording material, ink and toner SHOWA DENKO K.K. (JP) 1998-12-08 US disclosed
EP-0613058-A1 Light-decolorizable recording material SHOWA DENKO KABUSHIKI KAISHA (JP) 1994-08-31 EP disclosed