SCHEMBL3275879

SCHEMBL3275879

N#Cc1ccc(-c2ccc(OC(=O)c3ccc(OCCCO)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.56
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
MMP3 P08254 5/20 0.53
MMP1 P03956 1/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HRH3 Q9Y5N1 2/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
TP53 P04637 1/20 0.46
HIF1A Q16665 1/20 0.46
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL13384900 0.89 LMNA (0.58) MMP2ALDH1A1MAPTMMP3MMP1
SCHEMBL5881164 0.89 LMNA (0.58) MMP2ALDH1A1MAPTMMP3MMP1
SCHEMBL13632500 0.89 MMP2 (0.56) MMP2ALDH1A1MAPTMMP3MMP1
SCHEMBL12736327 0.86 MAPT (0.57) MMP2ALDH1A1MAPTMMP3MMP1
SCHEMBL5881168 0.86 MAPT (0.57) MMP2ALDH1A1MAPTMMP3MMP1
SCHEMBL14132234 0.86 NPC1 (0.63) ALDH1A1MAPTMMP3HDAC1HDAC2
SCHEMBL3434932 0.86 NPC1 (0.63) ALDH1A1MAPTMMP3HDAC1HDAC2
SCHEMBL10604715 0.86 NPC1 (0.63) ALDH1A1MAPTMMP3HDAC1HDAC2
SCHEMBL8621621 0.86 NPC1 (0.63) ALDH1A1MAPTMMP3HDAC1HDAC2
SCHEMBL5881229 0.86 NPC1 (0.63) ALDH1A1MAPTMMP3HDAC1HDAC2

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-8562863-B2 Cholesteric glassy liquid crystals with hybrid chiral-nematic mesogens THE UNIVERSITY OF ROCHESTER (US) 2013-10-22 US disclosed
US-20100086704-A1 CHOLESTERIC GLASSY LIQUID CRYSTALS WITH HYBRID CHIRAL-NEMATIC MESOGENS THE UNIVERSITY OF ROCHESTER 2010-04-08 US disclosed
US-7001648-B2 Glassy chiral-nematic liquid crystals and optical devices containing same UNIVERSITY OF ROCHESTER (US) 2006-02-21 US disclosed
US-20050263741-A1 GLASSY CHIRAL-NEMATIC LIQUID CRYSTALS AND OPTICAL DEVICES CONTAINING SAME NATIONAL SCIENCE FOUNDATION 2005-12-01 US disclosed