SCHEMBL7823710

SCHEMBL7823710

CCOC1(OCC)NC(=N)c2cc(C)ccc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL7824998 0.88
SCHEMBL7828713 0.83 KDM4E (0.35) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7816231 0.83 PPOX (0.35) KDM4EHPGD
SCHEMBL7816180 0.82 ALDH1A1 (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7827395 0.81 CYP1A2 (0.33) ALDH1A1
SCHEMBL7827464 0.80 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7823289 0.79 SMN1; SMN2 (0.39) ALDH1A1MAPT
SCHEMBL7815934 0.79 MEN1 (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7827484 0.79 PDK2 (0.37) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7826901 0.77 MAOA (0.44) KDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679640-B1 Carboxylate and heat-sensitive recording material using same MITSUI CHEMICALS INC (JP) 2001-08-08 EP disclosed
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
CN-1114431-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS (JP) 1996-01-03 CN disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed