SCHEMBL27468784

SCHEMBL27468784

COc1c(Cl)cccc1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.54
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LTA4H P09960 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
TTR P02766 1/20 0.42
KMT2A Q03164 1/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
CA4 P22748 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL3784924 0.86 DPP4 (0.59) DPP4ALDH1A1L3MBTL1NPSR1LTA4H
SCHEMBL4596133 0.82 MAPK1 (0.59) ALDH1A1L3MBTL1MAPK1HTTLTA4H
SCHEMBL197298 0.80 SMN1; SMN2 (0.50) ALDH1A1L3MBTL1MAPK1NPSR1LMNA
SCHEMBL9139036 0.79 HTT (0.50) DPP4ALDH1A1L3MBTL1MAPK1HTT
SCHEMBL10499349 0.78 LMNA (0.48) DPP4ALDH1A1L3MBTL1MAPK1HTT
Ethane SCHEMBL27569819 0.78 DPP4 (0.58) DPP4ALDH1A1L3MBTL1MAPK1HTT
SCHEMBL6900858 0.78 ALDH1A1 (0.48) DPP4ALDH1A1L3MBTL1MAPK1HTT
SCHEMBL9645022 0.78 LTA4H (0.52) DPP4ALDH1A1NPSR1LTA4HLMNA
SCHEMBL3790160 0.78 DPP4 (0.62) DPP4ALDH1A1L3MBTL1MAPK1HTT
SCHEMBL18354030 0.77 DPP4 (0.50) DPP4ALDH1A1L3MBTL1HTTNPSR1

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-1216052-C Anti-neurodegeneratively active 10-aminoaliphatyl-dibenz (b,f) oxepines NAVARTIS AG (CH) 2005-08-24 CN disclosed
CN-1137039-A Anti-neurodegeneratively active 10-aminoaliphatyl-dibenz (b,f) oxepines CIBA GEIGY AG (CH) 1996-12-04 CN disclosed