SCHEMBL8145754

SCHEMBL8145754

Nc1cccc(Oc2cc(Oc3cccc(N)c3C(F)(F)F)c(C(F)(F)F)cc2C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
AR P10275 7/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL8147300 0.94 AR (0.35) CYP1A2CYP3A4CYP2C19ARMAPT
SCHEMBL8145675 0.88 L3MBTL1 (0.42) ARMAPTL3MBTL1ALDH1A1NPSR1
SCHEMBL6317146 0.88 MAPT (0.41) CYP1A2CYP3A4CYP2C19MAPTKDM4E
SCHEMBL8137105 0.87 AR (0.34) CYP1A2CYP3A4CYP2C19ARMAPT
SCHEMBL8138511 0.86 MAPT (0.39) CYP1A2CYP3A4CYP2C19MAPTKDM4E
SCHEMBL8145654 0.84 L3MBTL1 (0.36) CYP1A2CYP3A4CYP2C19ARMAPT
SCHEMBL8144086 0.84 GAA (0.41) ARMAPTL3MBTL1ALDH1A1NPSR1
SCHEMBL31544629 0.84 MAPT (0.42) CYP1A2CYP3A4CYP2C19MAPTKDM4E
SCHEMBL8147692 0.83 MAPT (0.41) CYP1A2CYP3A4CYP2C19ARMAPT
SCHEMBL8138512 0.83 AR (0.34) CYP1A2CYP3A4CYP2C19ARMAPT

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
US-6103860-A LOW DIELECTRIC CONSTANT, EXCELLENT TRANSPARENCY, LOW HYGROSCOPICITY AND EXCELLENT PROCESSABILITY; SUBSTRATE FOR AN OPTICAL DISK, A PICK-UP LENS, A PLASTIC SUBSTRATE FOR A LIQUID CELL AND A PRISM MITSUI CHEMICALS, INC. (JP) 2000-08-15 US disclosed
US-5990261-A Organic optical component MITSUI CHEMICALS, INC. (JP) 1999-11-23 US disclosed
EP-0826717-A1 An organic optical component MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1998-03-04 EP disclosed