SCHEMBL8395239

SCHEMBL8395239

CCCCP(CCCC)(CCCC)(CCCC)OB(OCCCC(c1ccc(C)cc1)c1ccc(C)cc1)OCCCC(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
PLA2G2C Q5R387 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
SCHEMBL8398772 0.95 CYP19A1 (0.33) CYP19A1MEN1KMT2APTGESALOX5
SCHEMBL8400044 0.90 HTR2A (0.41) CYP19A1HRH3HTR2AHRH1
SCHEMBL8398752 0.87 CYP19A1 (0.37) CYP19A1MEN1KMT2APTGESALOX5
SCHEMBL8398399 0.85 HTR2A (0.39) MEN1KMT2AHTR2AHRH1
SCHEMBL8399116 0.81 CYP19A1 (0.38) CYP19A1MEN1KMT2ASLC6A3CNR1
SCHEMBL8397681 0.77 HRH1 (0.44) CYP19A1CNR1CNR2HRH3HTR2A
SCHEMBL8397636 0.77 CYP19A1 (0.38) CYP19A1SLC6A3CNR1CNR2HRH3
SCHEMBL8395177 0.76 TP53 (0.39) MEN1KMT2ACNR1CNR2
SCHEMBL5858776 0.73 CYP19A1 (0.41) CYP19A1MEN1KMT2ASLC6A3CNR1
Tetrabuthylammonium SCHEMBL8398872 0.72 CYP19A1 (0.34) CYP19A1MEN1KMT2APTGESALOX5

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