SCHEMBL8569425

SCHEMBL8569425

COc1ccccc1CC1c2cccc(O)c2C(=O)c2c(O)cccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
EGFR P00533 1/20 0.47
PIM1 P11309 1/20 0.47
P4HB P07237 1/20 0.46
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
MPO P05164 1/20 0.41
CYP2D6 P10635 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL10490976 0.79 MEN1 (0.54) MEN1KMT2AEGFRPIM1P4HB
SCHEMBL27897675 0.75 IDO1 (0.46) MAPTCA1CA2CYP2D6ALDH1A1
SCHEMBL8427333 0.70 CES2 (0.36)
SCHEMBL28662503 0.70 ALDH1A1 (0.54) MEN1KMT2AMAPTCYP2D6KDM4E
SCHEMBL10490935 0.69 HDAC4 (0.46) MEN1KMT2AEGFRPIM1MAPT
SCHEMBL9178368 0.68 ALDH1A1 (0.52) KMT2AP4HBMAPTALDH1A1LMNA
SCHEMBL2673236 0.68 MAPT (0.50) MAPTTP53CYP2D6ALDH1A1LMNA
SCHEMBL8062515 0.68 P4HB (0.41) P4HB
SCHEMBL8382011 0.67 MEN1 (0.84) MEN1KMT2AEGFRPIM1P4HB
SCHEMBL8559808 0.67 ALDH1A1 (0.52) MEN1KMT2AMAPTTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5844004-A 10-substituted 1,8-dihydroxy-9 (10H) anthracenone pharmaceuticals TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1998-12-01 US disclosed