SCHEMBL8670436

SCHEMBL8670436

CCCCC1CC(=O)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM2 Q14416 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL8670581 0.81 TDP1 (0.39) MEN1KMT2AHTTTDP1ALDH1A1
SCHEMBL9754952 0.79 KDM4E (0.32) KDM4EMAPTCYP2C19
SCHEMBL7752642 0.77 MEN1 (0.36) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL14873914 0.75 CYP1A2 (0.39) TDP1ALDH1A1CYP2C19L3MBTL1CYP1A2
SCHEMBL16158827 0.75 CYP1A2 (0.39) TDP1ALDH1A1CYP2C19L3MBTL1CYP1A2
SCHEMBL14873913 0.75 CYP1A2 (0.39) TDP1ALDH1A1CYP2C19L3MBTL1CYP1A2
SCHEMBL16158805 0.75 CYP1A2 (0.39) TDP1ALDH1A1CYP2C19L3MBTL1CYP1A2
SCHEMBL16158808 0.75 CYP1A2 (0.39) TDP1ALDH1A1CYP2C19L3MBTL1CYP1A2
Water SCHEMBL10626597 0.68 CYP1A2 (0.37) MEN1KMT2AHTTTDP1ALDH1A1
SCHEMBL12488480 0.67 TDP1 (0.36) MEN1KMT2AHTTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759752-A TRANSPARENT POLYCARBONATE AGFA-GEVAERT N.V. (BE) 1998-06-02 US disclosed
EP-0614769-B1 Direct thermal imaging material containing a protective layer AGFA GEVAERT NV (BE) 1996-09-25 EP disclosed
EP-0573086-B1 Dye-donor element for use according to thermal dye sublimation transfer AGFA GEVAERT NV (BE) 1996-03-13 EP disclosed
EP-0523474-B1 Dye receiving sheet for the thermosublimation printing process AGFA GEVAERT AG (DE) 1995-09-20 EP disclosed
US-5378676-A Thermal dye transfer, polycarbonate binder derived from a bis(hydroxyphenyl)-cyclohexane or cyclopentane AGFA-GEVAERT, N.V. (BE) 1995-01-03 US disclosed
US-5372986-A Heat resistant layer containing a polyether AGFA-GEVAERT, N.V. (BE) 1994-12-13 US disclosed
EP-0614769-A1 Direct thermal imaging material containing a protective layer AGFA-GEVAERT N.V. (BE) 1994-09-14 EP disclosed
EP-0601657-A1 Heat-resistant layer of a dye-donor element AGFA-GEVAERT N.V. (BE) 1994-06-15 EP disclosed
EP-0573086-A1 Dye-donor element for use according to thermal dye sublimation transfer AGFA-GEVAERT N.V. (BE) 1993-12-08 EP disclosed
US-5234888-A Having support with dye layer on one side and heat resistant polycarbonate layer on other; AGFA-GEVAERT, N.V. (BE) 1993-08-10 US disclosed
EP-0527520-A1 Dye-donor element for use according to thermal dye sublimation transfer AGFA-GEVAERT N.V. (BE) 1993-02-17 EP disclosed
EP-0523474-A1 Dye receiving sheet for the thermosublimation printing process Agfa-Gevaert AG (DE) 1993-01-20 EP disclosed