SCHEMBL22401643

SCHEMBL22401643

N#Cc1ccc(OCCCCCCCCCCBr)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.57
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
MMP3 P08254 2/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH2 P25021 4/20 0.47
HRH1 P35367 4/20 0.47
MMP2 P08253 2/20 0.47
MAOB P27338 1/20 0.46
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
TBXAS1 P24557 1/20 0.44

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
SCHEMBL5522642 1.00 HRH3 (0.57) HRH3ALDH1A1MAPTHDAC1HDAC2
SCHEMBL14448890 1.00 HRH3 (0.57) HRH3ALDH1A1MAPTHDAC1HDAC2
SCHEMBL3107072 1.00 HRH3 (0.57) HRH3ALDH1A1MAPTHDAC1HDAC2
SCHEMBL1999659 1.00 HRH3 (0.57) HRH3ALDH1A1MAPTHDAC1HDAC2
SCHEMBL11031564 1.00 HRH3 (0.57) HRH3ALDH1A1MAPTHDAC1HDAC2
SCHEMBL1713933 0.98 ALDH1A1 (0.54) HRH3ALDH1A1MAPTHDAC1HDAC2
SCHEMBL5097451 0.95 HDAC1 (0.58) HRH3ALDH1A1HDAC1HDAC2MMP3
SCHEMBL9227809 0.95 HDAC1 (0.58) HRH3ALDH1A1HDAC1HDAC2MMP3
SCHEMBL2201281 0.95 HDAC1 (0.58) HRH3ALDH1A1HDAC1HDAC2MMP3
SCHEMBL6709272 0.95 HDAC1 (0.58) HRH3ALDH1A1HDAC1HDAC2MMP3

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
US-12038447-B2 Lipid bilayer membrane mimic Sellergren, Börje (SE) 2024-07-16 US disclosed
EP-3706802-B1 LIPID BILAYER MEMBRANE MIMIC SELLERGREN BOERJE (SE) 2024-06-05 EP disclosed
US-20200355707-A1 LIPID BILAYER MEMBRANE MIMIC SELLERGREN, BORJE (SE) 2020-11-12 US disclosed
EP-3706802-A1 LIPID BILAYER MEMBRANE MIMIC Sellergren, Börje (SE) 2020-09-16 EP disclosed