SCHEMBL27545293

SCHEMBL27545293

CC(C)c1ccc(Cc2c[c]ccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
CNR2 P34972 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TYR P14679 1/20 0.34
LTA4H P09960 1/20 0.34
CNR1 P21554 1/20 0.33
PYCR1 P32322 1/20 0.33
CALM1 P0DP23 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
COPS5 Q92905 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL27501269 0.82 ALDH1A1 (0.37) LMNAALDH1A1
SCHEMBL2585956 0.80 CALM1 (0.43) LTA4HCALM1
SCHEMBL9686662 0.79 SRD5A2 (0.38) IDO1MEN1KMT2ALMNAALDH1A1
SCHEMBL27430888 0.79 TP53 (0.44) LMNAALDH1A1L3MBTL1LTA4HCALM1
SCHEMBL8900207 0.79 SIGMAR1 (0.37) IDO1MEN1KMT2ALMNAALDH1A1
SCHEMBL711973 0.78 CALM1 (0.57) IDO1LMNAALDH1A1LTA4HCALM1
SCHEMBL4841473 0.78 CALM1 (0.57) IDO1HTR1DHTR1BCNR2LMNA
SCHEMBL27427349 0.78 LTA4H (0.35) LTA4HCALM1
SCHEMBL3956146 0.78 IDO1 (0.56) IDO1HTR1DHTR1BMEN1KMT2A
SCHEMBL27454348 0.76 MAPT (0.46) MEN1KMT2ALMNAALDH1A1L3MBTL1

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
CN-1110484-C 2-(arylphenyl) amino-imidazoline derivatives HOFMMANN LA ROCHE AG F (CH) 2003-06-04 CN disclosed
CN-1216762-A 2-(arylphenyl) amino-imidazoline derivatives HOFMMANN LA ROCHE AG F (CH) 1999-05-19 CN disclosed