SCHEMBL7795902

SCHEMBL7795902

COC(=O)c1cccc(OC(C)C)c1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.51
ALDH1A1 P00352 3/20 0.45
SLC6A3 Q01959 2/20 0.45
ACHE P22303 1/20 0.45
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.43
CFTR P13569 1/20 0.43
KCNK3 O14649 3/20 0.43
KCNK9 Q9NPC2 3/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42

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
SCHEMBL7842794 0.90 IRAK4 (0.45) IRAK4ALDH1A1SLC6A3ACHETSHR
SCHEMBL4036585 0.84 IRAK4 (0.66) IRAK4ALDH1A1SLC6A3ACHETSHR
SCHEMBL15814877 0.83 IRAK4 (0.51) IRAK4ALDH1A1SLC6A3ACHETSHR
SCHEMBL12313575 0.83 CXCR5 (0.52) IRAK4ALDH1A1TSHRLMNAHSD17B10
SCHEMBL5331876 0.83 TSHR (0.58) IRAK4ALDH1A1TSHRLMNAHSD17B10
SCHEMBL1818841 0.83 IRAK4 (0.54) IRAK4ALDH1A1ACHETSHRLMNA
SCHEMBL7838547 0.82 TSHR (0.43) IRAK4ALDH1A1SLC6A3TSHRLMNA
SCHEMBL21121086 0.82 IRAK4 (0.50) IRAK4ALDH1A1SLC6A3ACHETSHR
SCHEMBL2651635 0.82 SLC6A3 (0.44) IRAK4ALDH1A1SLC6A3TSHRKDM4E
SCHEMBL15813878 0.82 LIG1 (0.46) IRAK4ALDH1A1TSHRLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed