SCHEMBL8215364

SCHEMBL8215364

Cc1cc(I)cc(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRB1 P18505 1/20 0.39
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
FABP3 P05413 2/20 0.31
FABP4 P15090 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KDM4E B2RXH2 3/20 0.31
TTR P02766 1/20 0.31
FABP5 Q01469 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL18100443 0.84 GABRA1 (0.46) GABRA1GABRB2GABRB1HTTALDH1A1
SCHEMBL22288163 0.84 GABRA1 (0.46) GABRA1GABRB2GABRB1HTTALDH1A1
SCHEMBL16960604 0.81 GABRA1 (0.32) GABRA1GABRB2GABRB1
SCHEMBL599485 0.81 ALDH1A1 (0.42) GABRA1GABRB2HTTALDH1A1LMNA
SCHEMBL3363012 0.81 LMNA (0.40) GABRA1GABRB2HTTALDH1A1LMNA
Hydrogen Peroxide SCHEMBL11574286 0.76 FABP3 (0.44) GABRA1GABRB2HTTALDH1A1LMNA
Hydrogen Peroxide SCHEMBL11210753 0.76 FABP3 (0.44) GABRA1GABRB2HTTALDH1A1LMNA
SCHEMBL10595886 0.75 TTR (0.32) GABRA1GABRB2GABRB1TTR
SCHEMBL8342711 0.74 CA12 (0.31)
SCHEMBL79108 0.74

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
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
WO-2007145568-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
WO-2007145569-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
WO-2007145568-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed