SCHEMBL8645252

SCHEMBL8645252

CCCCCCCCCOC1CC[CH]CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.48
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 2/20 0.38
NAAA Q02083 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 2/20 0.35
CES2 O00748 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
PTAFR P25105 1/20 0.35

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
SCHEMBL8644516 1.00 GBA1 (0.48) GBA1ALDH1A1TDP1EPHX2NAAA
SCHEMBL8640448 1.00 GBA1 (0.48) GBA1ALDH1A1TDP1EPHX2NAAA
SCHEMBL8646640 1.00 GBA1 (0.48) GBA1ALDH1A1TDP1EPHX2NAAA
SCHEMBL8115794 1.00 GBA1 (0.48) GBA1ALDH1A1TDP1EPHX2NAAA
SCHEMBL8642669 0.98 GBA1 (0.45) GBA1ALDH1A1TDP1EPHX2NAAA
SCHEMBL4431588 0.94 GBA1 (0.41) GBA1ALDH1A1TDP1EPHX2NAAA
SCHEMBL10938313 0.89 GBA1 (0.43) GBA1ALDH1A1TDP1EPHX2NAAA
SCHEMBL7203862 0.88 GBA1 (0.40) GBA1ALDH1A1TDP1EPHX2
SCHEMBL8641844 0.87 NAAA (0.48) GBA1ALDH1A1TDP1EPHX2NAAA
SCHEMBL8743859 0.87 NAAA (0.48) GBA1ALDH1A1TDP1EPHX2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750599-A HEAT RESISTANCE, DIMENSIONAL STABILITY, LIQUID CRYSTAL DISPLAYS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-05-12 US disclosed
US-5659039-A YELLOW ORANGE DICHROIC DYES FOR POLARIZING FILMS FOR LIQUID CRYSTAL DISPLAYS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-08-19 US disclosed
US-5618980-A DEHYDROGENATING N-CYCLOHEXYLIDENEAMINO COMPOUND IN PRESENCE OF HYDROGEN TRANSFER CATALYST AND HYDROGEN ACCEPTOR AND ALKALI OR ALKALINE EARTH METAL COMPOUND COCATALYST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-04-08 US disclosed
EP-0588060-B1 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0753505-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-01-15 EP disclosed
US-5536878-A HYDROGEN ACCEPTOR MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-16 US disclosed
EP-0669379-A1 Quinophtalone compounds and polarizing films using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-08-30 EP disclosed
US-5382690-A Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-01-17 US disclosed
EP-0588060-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-03-23 EP disclosed