SCHEMBL6010443

SCHEMBL6010443

CC(C)Oc1ccccc1-c1ccc([C]=O)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.52
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.37
MAPT P10636 4/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ACHE P22303 1/20 0.36
PDE5A O76074 1/20 0.35
MEN1 O00255 2/20 0.34
RECQL P46063 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL6009508 0.80 SLC9A1 (0.56) SLC9A1ALDH1A1KDM4EHPGDMAPT
SCHEMBL6009523 0.79 ALDH1A1 (0.59) SLC9A1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6010447 0.76 ALDH1A1 (0.52) SLC9A1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2321499 0.74 SLC9A1 (0.45) SLC9A1ALDH1A1KDM4EHPGDMAPT
SCHEMBL4943006 0.74 SLC9A1 (0.67) SLC9A1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3632568 0.72 IRAK4 (0.50) SLC9A1ALDH1A1HSD17B10IRAK4MAPT
SCHEMBL31634047 0.72 IRAK4 (0.50) SLC9A1ALDH1A1HSD17B10IRAK4MAPT
SCHEMBL6010130 0.70 ALDH1A1 (0.53) SLC9A1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4946454 0.69 SLC9A1 (1.00) SLC9A1
SCHEMBL1465246 0.68 IRAK4 (0.47) ALDH1A1KDM4ETDP1IRAK4MAPT

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-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 WO disclosed