SCHEMBL7828095

SCHEMBL7828095

CCOC1(OCC)NC(=N)c2ccc(N(CC)CC)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
EGFR P00533 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CYP3A4 P08684 2/20 0.34
TERT O14746 1/20 0.34
S100B P04271 1/20 0.33
ALDH3A1 P30838 1/20 0.33
ALDH1A3 P47895 1/20 0.33
CYP19A1 P11511 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31

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
SCHEMBL7831387 0.90 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTMEN1HPGD
SCHEMBL7827464 0.89 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTMEN1HPGD
SCHEMBL7824998 0.80
SCHEMBL7824764 0.78 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTMEN1HPGD
SCHEMBL7828075 0.78 AKR1B1 (0.36) MAPTHPGDKMT2ATDP1TSHR
SCHEMBL7825772 0.77 ALDH1A1 (0.35) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL7826393 0.77 PDK2 (0.41) ALDH1A1L3MBTL1MAPTMEN1HPGD
SCHEMBL7824864 0.76 NPC1 (0.31) ALDH1A1L3MBTL1
SCHEMBL7823289 0.74 SMN1; SMN2 (0.39) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7817014 0.74 PDK2 (0.42) ALDH1A1L3MBTL1MAPTMEN1KMT2A

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
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
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed