SCHEMBL30175784

SCHEMBL30175784

CCCOc1ccccc1-c1ccc(C(C)=O)o1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HPGD P15428 3/20 0.63
MAPT P10636 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.61
SLC9A1 P19634 5/20 0.55
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
EIF4A1 P60842 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CNR2 P34972 1/20 0.43
CA9 Q16790 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
SCHEMBL11909114 0.87 ALDH1A1 (0.55) ALDH1A1HPGDMAPTL3MBTL1SLC9A1
SCHEMBL30175832 0.77 SLC9A1 (0.66) ALDH1A1HPGDMAPTL3MBTL1SLC9A1
SCHEMBL4944722 0.76 ALDH1A1 (0.77) ALDH1A1HPGDMAPTL3MBTL1SLC9A1
SCHEMBL5151601 0.75 LMNA (0.57) ALDH1A1MAPTL3MBTL1KDM4ENPC1
SCHEMBL30175775 0.74 ABCB1 (0.54) ALDH1A1HPGDMAPTL3MBTL1KDM4E
SCHEMBL30175837 0.73 SMARCA2 (0.50) ALDH1A1MAPTL3MBTL1SLC9A1KDM4E
SCHEMBL7748877 0.73 ALDH1A1 (0.63) ALDH1A1HPGDMAPTL3MBTL1KDM4E
SCHEMBL10438816 0.73 HTR7 (0.53) ALDH1A1HPGDMAPTKDM4ERAB9A
SCHEMBL12140121 0.73 ALDH1A1 (0.54) ALDH1A1HPGDMAPTL3MBTL1KDM4E
SCHEMBL27996376 0.72 KMT2A (0.59) ALDH1A1MAPTL3MBTL1TDP1CYP1A2

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
WO-2023034813-A1 AN EIF4A INHIBITOR WITH A NOVEL MECHANISM OF ACTION ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-03-09 WO disclosed