SCHEMBL7330787

SCHEMBL7330787

CC(C)Oc1ccccc1C(C)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.59
ALDH1A1 P00352 2/20 0.47
ACHE P22303 1/20 0.47
CXCL8 P10145 1/20 0.44
KMT2A Q03164 1/20 0.42
SLC9A1 P19634 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HDAC4 P56524 1/20 0.38
MAP2 P11137 1/20 0.38
GLA P06280 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL4554195 0.85 KMT2A (0.53) IRAK4ACHECXCL8KMT2AKDM4E
SCHEMBL9729192 0.85 KMT2A (0.53) IRAK4ACHECXCL8KMT2AKDM4E
SCHEMBL9321170 0.80 CXCL8 (0.54) IRAK4CXCL8KMT2ALMNATDP1
SCHEMBL1685873 0.79 CTNNB1 (0.53) CXCL8LMNAPARP10HTT
SCHEMBL25245395 0.77 IRAK4 (0.53) IRAK4ALDH1A1ACHEKMT2ASLC9A1
SCHEMBL8317971 0.76 LIPE (0.51) ALDH1A1KDM4ETDP1HTT
SCHEMBL8053594 0.75 IRAK4 (0.48) IRAK4ALDH1A1ACHEKMT2AKDM4E
SCHEMBL6055378 0.75 ALDH1A1 (0.50) IRAK4ALDH1A1ACHEKMT2AKDM4E
SCHEMBL30387546 0.74 CXCL8 (0.42) IRAK4CXCL8KMT2AHTT
SCHEMBL1827130 0.74 MAPT (0.47) ALDH1A1CXCL8KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852142-A1 Diamines in the treatment of arrhythmia SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1998-07-08 EP disclosed
EP-0639973-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1995-03-01 EP disclosed
WO-1993023024-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1993-11-25 WO disclosed