SCHEMBL7637697

SCHEMBL7637697

CC(=O)OC1C=CCC2C(=O)c3c(O)cccc3C(=O)C12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.77
HK1 P19367 1/20 0.77
HKDC1 Q2TB90 1/20 0.77
PIM1 P11309 2/20 0.41
IDO1 P14902 2/20 0.36
MAOA P21397 4/20 0.33
STAT3 P40763 2/20 0.33
P4HB P07237 3/20 0.33
PDIA4 P13667 3/20 0.33
PDIA3 P30101 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
MAOB P27338 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
ALOX15 P16050 3/20 0.33
MAPK1 P28482 3/20 0.33
HSD17B10 Q99714 3/20 0.33

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
SCHEMBL7628574 0.95 NSD2 (0.70) NSD2HK1HKDC1PIM1IDO1
SCHEMBL11832717 0.86 NSD2 (0.70) NSD2HK1HKDC1STAT3MEN1
SCHEMBL7633252 0.80 NSD2 (0.51) NSD2HK1HKDC1PIM1IDO1
SCHEMBL7637705 0.75 PIM1 (0.51) NSD2HK1HKDC1PIM1IDO1
SCHEMBL11019899 0.73 NSD2 (0.54) NSD2HK1HKDC1
SCHEMBL11022246 0.70 NSD2 (0.51) NSD2HK1HKDC1
SCHEMBL10633275 0.69 NSD2 (0.49) NSD2HK1HKDC1
SCHEMBL10903809 0.69 NSD2 (0.49) NSD2HK1HKDC1
SCHEMBL6215321 0.68 NSD2 (0.48) NSD2HK1HKDC1
SCHEMBL17195889 0.65 NSD2 (0.46) NSD2HK1HKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801639-B1 METHOD FOR PREPARING SUBSTITUTED ANTHRAQUINONES AND USE THEREOF FOR PREPARING RHEINS GIREX (FR) 2002-01-02 EP disclosed
US-5948924-A Process for the preparation of substituted anthraquinones and application in the preparation of rheins GIREX (SOCIETE ANONYME) (FR) 1999-09-07 US disclosed