SCHEMBL4344740

SCHEMBL4344740

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 3/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MMP3 P08254 1/20 0.43
HIF1A Q16665 1/20 0.42

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
SCHEMBL13171675 1.00 ALDH1A1 (0.48) ALDH1A1MAPTHTTTHRBNPC1
SCHEMBL17365328 1.00 ALDH1A1 (0.48) ALDH1A1MAPTHTTTHRBNPC1
SCHEMBL1961800 1.00 ALDH1A1 (0.48) ALDH1A1MAPTHTTTHRBNPC1
SCHEMBL12172635 1.00 ALDH1A1 (0.48) ALDH1A1MAPTHTTTHRBNPC1
SCHEMBL12088389 0.99 ALDH1A1 (0.49) ALDH1A1MAPTHTTTHRBNPC1
SCHEMBL14469430 0.99 ALDH1A1 (0.49) ALDH1A1MAPTHTTTHRBNPC1
SCHEMBL9996975 0.99 ALDH1A1 (0.49) ALDH1A1MAPTHTTTHRBNPC1
SCHEMBL16379515 0.99 ALDH1A1 (0.49) ALDH1A1MAPTHTTTHRBNPC1
SCHEMBL12676172 0.97 HDAC1 (0.50) ALDH1A1MAPTHTTTHRBNPC1
SCHEMBL14469738 0.96 ALDH1A1 (0.49) ALDH1A1MAPTHTTTHRBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660612-B1 CHOLESTERIC LIQUID CRYSTAL COPOLYMERS AND ADDITIVES 3M INNOVATIVE PROPERTIES CO (US) 2009-01-07 EP disclosed
US-7160586-B2 Cholesteric liquid crystal copolymers and additives 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-09 US disclosed
US-7160586-B2 Cholesteric liquid crystal copolymers and additives 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-09 US disclosed
US-7160586-B2 Cholesteric liquid crystal copolymers and additives 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-09 US disclosed
EP-1660612-A2 CHOLESTERIC LIQUID CRYSTAL COPOLYMERS AND ADDITIVES 3M Innovative Properties Company (US) 2006-05-31 EP disclosed
WO-2005023964-A2 CHOLESTERIC LIQUID CRYSTAL COPOLYMERS AND ADDITIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-17 WO disclosed
US-20050045854-A1 Cholesteric liquid crystal copolymers and additives 3M INNOVATIVE PROPERTIES COMPANY 2005-03-03 US disclosed