SCHEMBL7637705

SCHEMBL7637705

CC(=O)OC1C=C(C)CC2C(=O)c3cccc(O)c3C(=O)C12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.51
NSD2 O96028 1/20 0.46
HK1 P19367 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
IDO1 P14902 1/20 0.36
STAT3 P40763 1/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAP2K7 O14733 1/20 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
SCHEMBL7633252 0.95 NSD2 (0.51) PIM1NSD2HK1HKDC1IDO1
SCHEMBL7624596 0.83 PIM1 (0.51) PIM1NSD2HK1HKDC1IDO1
SCHEMBL7628574 0.80 NSD2 (0.70) PIM1NSD2HK1HKDC1IDO1
SCHEMBL7624508 0.79 PIM1 (0.46) PIM1NSD2HK1HKDC1IDO1
SCHEMBL7637697 0.75 NSD2 (0.77) PIM1NSD2HK1HKDC1IDO1
SCHEMBL11832717 0.64 NSD2 (0.70) NSD2HK1HKDC1STAT3MEN1
SCHEMBL10636266 0.62 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL31199228 0.62 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL28137965 0.61 STAT3 (0.54) PIM1IDO1STAT3MAOAMAOB
SCHEMBL9389657 0.60 MAOA (0.54) PIM1IDO1STAT3MAOAMAOB

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