SCHEMBL5096583

SCHEMBL5096583

C=CCCCOc1cc(OCCCCCCCC)ccc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
THRA P10827 5/20 0.50
THRB P10828 5/20 0.50
PTPN11 Q06124 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL19549621 0.90 MAOA (0.60) MAOAMAOBTHRATHRBPTPN11
SCHEMBL26355067 0.90 MAOA (0.60) MAOAMAOBTHRATHRBPTPN11
SCHEMBL5096611 0.88 PTPN11 (0.54) THRATHRBPTPN11ALDH1A1L3MBTL1
SCHEMBL16482859 0.86 MAOA (0.54) MAOAMAOBTHRATHRBPTPN11
SCHEMBL4304885 0.82 HDAC3 (0.54) MAOAMAOBTHRATHRBALDH1A1
SCHEMBL8962432 0.81 THRB (0.53) MAOAMAOBTHRATHRBPTPN11
SCHEMBL27713611 0.81 THRB (0.47) THRATHRBPTPN11ALDH1A1TP53
SCHEMBL10430684 0.81 THRA (0.54) THRATHRBPTPN11TP53TSHR
SCHEMBL16836640 0.81 MAOA (0.62) MAOAMAOBTHRATHRBPTPN11
SCHEMBL28519834 0.80 TDP1 (0.51) MAOAMAOBTHRATHRBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7416682-B2 Photochromic liquid crystals CHI MEI OPTOELECTRONICS CORPORATION (TW) 2008-08-26 US disclosed
EP-1517977-B1 PHOTOCHROMIC LIQUID CRYSTALS QINETIQ LTD (GB) 2006-10-11 EP disclosed
US-20050258396-A1 Potochromic liquid crystals QINETIQ LIMITED (GB) 2005-11-24 US disclosed
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