SCHEMBL28180983

SCHEMBL28180983

Brc1ccc(OCCCCCCOc2ccc(I)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.63
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NOS1 P29475 2/20 0.49
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KDM4E B2RXH2 2/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LSS P48449 1/20 0.43

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
SCHEMBL28181100 0.91 APP (0.68) APPATML3MBTL1DRD4DRD2
SCHEMBL17465617 0.89 ATM (0.58) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL7898603 0.89 ATM (0.58) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL17445905 0.87 ATM (0.60) APPATML3MBTL1NOS1DRD4
SCHEMBL11563384 0.83 ATM (0.50) APPATML3MBTL1NOS1DRD4
SCHEMBL21114104 0.83 APP (0.47) APPDRD3
SCHEMBL13472002 0.83 ATM (0.50) APPATML3MBTL1NOS1DRD4
SCHEMBL18235025 0.82 DRD4 (0.57) APPATML3MBTL1NOS1DRD4
SCHEMBL6132633 0.81 ATM (0.51) ATML3MBTL1NOS1DRD4DRD2
SCHEMBL8393205 0.81 APP (0.48) APPDRD3

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-107353209-B There are the two phenoxy group flexible molecules and its preparation method and application of high-affinity with A β plaque block 北京师范大学 2019-07-19 CN disclosed
CN-107353209-A There are two phenoxy group flexible molecules of high-affinity and its preparation method and application with A β plaque block 北京师范大学 2017-11-17 CN disclosed