SCHEMBL8901809

SCHEMBL8901809

CCN(CC)C(=O)c1cc(OC)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
BLM P54132 1/20 0.51
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.50
HSD11B1 P28845 1/20 0.48
HSD17B10 Q99714 1/20 0.47
GLA P06280 1/20 0.47
CREBBP Q92793 1/20 0.47

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
SCHEMBL14052327 0.88 HPGD (0.63) MAPTNPSR1HTTALDH1A1CYP1A2
SCHEMBL7291892 0.87 NPC1 (0.55) MAPTHTTALDH1A1CYP1A2HSP90AA1
SCHEMBL487637 0.84 HSP90AA1 (0.59) MAPTHTTALDH1A1CYP1A2HSP90AA1
SCHEMBL24476967 0.83 KDM4E (0.50) HTTALDH1A1CYP1A2HSP90AA1HSP90AB1
SCHEMBL7786461 0.83 HPGD (0.50) MAPTALDH1A1CYP1A2HSP90AA1HSP90AB1
SCHEMBL7511970 0.81 MAPT (0.62) MAPTNPSR1HTTALDH1A1CYP1A2
SCHEMBL1536288 0.81 HTT (0.55) HTTALDH1A1CYP1A2HSP90AA1HSP90AB1
SCHEMBL9149114 0.81 TSHR (0.50) ALDH1A1CYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL14134428 0.80 HPGD (0.50) MAPTALDH1A1CYP1A2HSP90AA1HSP90AB1
SCHEMBL14134464 0.80 HSP90AA1 (0.67) MAPTNPSR1HTTALDH1A1CYP1A2

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
US-5593970-A ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING BIOCHEM PHARMA INC. (CA) 1997-01-14 US disclosed
WO-1991019725-A2 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1991-12-26 WO disclosed