SCHEMBL7828755

SCHEMBL7828755

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
HIF1A Q16665 1/20 0.35
PDK2 Q15119 1/20 0.35
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APLNR P35414 1/20 0.34
HTT P42858 2/20 0.34
APAF1 O14727 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7825772 0.88 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDGLAHIF1A
SCHEMBL7816180 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHIF1APDK2
SCHEMBL7829893 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDPDK2AKR1A1
SCHEMBL7815934 0.85 MEN1 (0.41) ALDH1A1KDM4EHPGDHIF1APDK2
SCHEMBL7827484 0.85 PDK2 (0.37) ALDH1A1KDM4EHPGDHIF1APDK2
SCHEMBL7826901 0.83 MAOA (0.44) ALDH1A1KDM4EHPGDPDK2MAPT
SCHEMBL7823710 0.82 KDM4E (0.32) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL7827424 0.81 PDK2 (0.40) ALDH1A1KDM4EPDK2MEN1MAPT
SCHEMBL7826474 0.81 PDK2 (0.40) ALDH1A1KDM4EPDK2MEN1MAPT
SCHEMBL7816231 0.81 PPOX (0.35) KDM4EHPGDKMT2ATSHRGAA

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