SCHEMBL6253773

SCHEMBL6253773

CCCCCCCCCCC(Br)Oc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MGLL Q99685 2/20 0.44
PTGES O14684 3/20 0.39
ALOX5 P09917 3/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
MMP2 P08253 3/20 0.39
HRH2 P25021 3/20 0.39
HRH1 P35367 3/20 0.39
MMP3 P08254 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL28703168 0.99 TSHR (0.50) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL28712540 0.88 ALDH1A1 (0.47) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL9450589 0.83 TSHR (0.52) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL6250338 0.83 TSHR (0.52) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL29116694 0.83 TSHR (0.52) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL9450590 0.83 TSHR (0.52) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL29116633 0.83 TSHR (0.52) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL29116693 0.83 TSHR (0.52) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL13821490 0.82 ALDH1A1 (0.50) TSHRHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL14513914 0.81 MGLL (0.49) TSHRHSD17B10ALDH1A1HPGDKDM4E

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
EP-1517977-A1 PHOTOCHROMIC LIQUID CRYSTALS Qinetiq Limited (GB) 2005-03-30 EP disclosed
WO-2004003107-A1 POTOCHROMIC LIQUID CRYSTALS QINETIQ LIMITED (GB) 2004-01-08 WO disclosed