SCHEMBL7983991

SCHEMBL7983991

N#Cc1ccc(OCCCCCCOc2ccc(C#N)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.66
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
MMP3 P08254 3/20 0.56
MMP2 P08253 3/20 0.55
HRH2 P25021 4/20 0.54
HRH1 P35367 4/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOB P27338 1/20 0.53
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
TBXAS1 P24557 1/20 0.50

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
SCHEMBL5526919 1.00 HRH3 (0.66) HRH3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL12408526 1.00 HRH3 (0.66) HRH3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL7387284 1.00 HRH3 (0.66) HRH3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL5519875 0.98 HRH3 (0.62) HRH3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL29444063 0.94 HDAC1 (0.67) HRH3HDAC1HDAC2ALDH1A1MMP3
SCHEMBL20332712 0.94 HRH3 (0.60) HRH3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL16841044 0.94 HDAC1 (0.67) HRH3HDAC1HDAC2ALDH1A1MMP3
SCHEMBL18079151 0.94 HDAC1 (0.67) HRH3HDAC1HDAC2ALDH1A1MMP3
SCHEMBL20333565 0.94 HRH3 (0.60) HRH3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL7384498 0.93 HRH3 (0.59) HRH3HDAC1HDAC2ALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed