SCHEMBL8398752

SCHEMBL8398752

CCP(CC)(CC)(CC)OB(OCCCC(c1ccc(C)cc1)c1ccc(C)cc1)OCCCC(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A3 Q01959 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
CASR P41180 1/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8397681 0.90 HRH1 (0.44) CYP19A1CNR1CNR2HTR2AHRH1
SCHEMBL8395239 0.87 CYP19A1 (0.35) CYP19A1MEN1KMT2ASLC6A3CNR1
SCHEMBL8398772 0.85 CYP19A1 (0.33) CYP19A1MEN1KMT2ASLC6A3CNR1
SCHEMBL8399116 0.85 CYP19A1 (0.38) CYP19A1MEN1KMT2ASLC6A3CNR1
SCHEMBL8397636 0.80 CYP19A1 (0.38) CYP19A1SLC6A3CNR1CNR2HTR2A
SCHEMBL8395177 0.79 TP53 (0.39) MEN1KMT2ACNR1CNR2CASR
SCHEMBL8400044 0.77 HTR2A (0.41) CYP19A1HTR2AHRH1SIGMAR1
SCHEMBL5858776 0.76 CYP19A1 (0.41) CYP19A1MEN1KMT2ASLC6A3CNR1
SCHEMBL8398399 0.75 HTR2A (0.39) MEN1KMT2AHTR2AHRH1SIGMAR1
SCHEMBL8398803 0.74 HRH1 (0.42) CYP19A1MEN1KMT2ASLC6A3HTR2A

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