SCHEMBL13400035

SCHEMBL13400035

C=CC(=O)Oc1ccc2c(c1)n1n(-c3cc(C(C)(C)CC(C)(C)C)ccc3O)n21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDH1 P40925 8/20 0.37
▸ MDH2 P40926 8/20 0.37
▸ CYP3A4 P08684 3/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ AR P10275 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL13400023 0.87 MDH1 (0.37) MDH1MDH2CYP3A4HIF1ACYP2D6
SCHEMBL13400033 0.83 MDH1 (0.38) MDH1MDH2CYP3A4HIF1ACYP2D6
SCHEMBL9002356 0.77 CYP3A4 (0.45) MDH1MDH2CYP3A4HIF1ACYP2D6
SCHEMBL813448 0.77 THRB (0.36) SMN1; SMN2THRBKMT2A
SCHEMBL13159306 0.77 THRB (0.36) SMN1; SMN2THRBKMT2A
SCHEMBL813447 0.77 THRB (0.33) CYP3A4THRBMAPTGAA
SCHEMBL13159300 0.77 THRB (0.33) CYP3A4THRBMAPTGAA
SCHEMBL13300779 0.76 HSP90AA1 (0.37) HIF1ACYP2D6SMN1; SMN2MEN1MAPT
SCHEMBL13300818 0.76 MDH1 (0.41) MDH1MDH2CYP3A4HIF1ACYP2D6
SCHEMBL13400020 0.75 RXFP1 (0.35) MDH1MDH2CYP3A4HIF1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100103352-A1 OPTICAL FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY AND ULTRAVIOLET ABSORBING POLYMER KONICA MINOLTA OPTO, INC. (JP) 2010-04-29 — — US disclosed
US-20100103352-A1 OPTICAL FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY AND ULTRAVIOLET ABSORBING POLYMER KONICA MINOLTA OPTO, INC. (JP) 2010-04-29 — — US disclosed
US-20100104775-A1 ULTRAVIOLET ABSORBING POLYMER, CELLULOSE ESTER OPTICAL FILM, METHOD OF PRODUCING CELLULOSE ESTER OPTICAL FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY KONICA MINOLTA OPTO, INC. (JP) 2010-04-29 — — US disclosed
US-20100104775-A1 ULTRAVIOLET ABSORBING POLYMER, CELLULOSE ESTER OPTICAL FILM, METHOD OF PRODUCING CELLULOSE ESTER OPTICAL FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY KONICA MINOLTA OPTO, INC. (JP) 2010-04-29 — — US disclosed
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