SCHEMBL497301

SCHEMBL497301

C=CC(=O)OCCCCOC(=O)c1cc(OC(=O)c2ccc(OCCCC)cc2)ccc1OC(=O)c1ccc(OCCCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
NPC1 O15118 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
TSHR P16473 4/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 2/20 0.41

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
SCHEMBL13768006 0.99 NPC1 (0.47) MAPTLMNACYP1A2CYP2C19NPC1
SCHEMBL3192599 0.98 NPC1 (0.49) MAPTLMNACYP1A2CYP2C19NPC1
SCHEMBL14500157 0.98 NPC1 (0.49) MAPTLMNACYP1A2CYP2C19NPC1
SCHEMBL24764454 0.98 NPC1 (0.49) MAPTLMNACYP1A2CYP2C19NPC1
SCHEMBL19978523 0.96 THRB (0.44) MAPTLMNACYP1A2CYP2C19NPC1
SCHEMBL13100040 0.95 LMNA (0.50) MAPTLMNACYP1A2CYP2C19NPC1
SCHEMBL815840 0.95 HTT (0.44) MAPTLMNACYP1A2CYP2C19NPC1
SCHEMBL12731850 0.95 HTT (0.44) MAPTLMNACYP1A2CYP2C19NPC1
SCHEMBL12731853 0.95 HTT (0.44) MAPTLMNACYP1A2CYP2C19NPC1
SCHEMBL18589724 0.94 NPC1 (0.46) MAPTLMNACYP1A2CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010112831-A1 LIQUID CRYSTAL ELASTOMER BEADS UNIVERSITY OF YORK (GB) 2010-10-07 WO claimed
US-8105519-B2 Process of making a nematic elastomer fiber with mechanical properties of a muscle THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-01-31 US disclosed
US-20100308511-A1 NEMATIC ELASTOMER FIBER WITH MECHANICAL PROPERTIES OF A MUSCLE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2010-12-09 US disclosed
WO-2010112831-A1 LIQUID CRYSTAL ELASTOMER BEADS UNIVERSITY OF YORK (GB) 2010-10-07 WO disclosed
US-7794834-B2 Nematic elastomer fiber with mechanical properties of a muscle THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2010-09-14 US disclosed
US-20070010627-A1 NEMATIC ELASTOMER FIBER WITH MECHANICAL PROPERTIES OF A MUSCLE THE GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2007-01-11 US disclosed
US-7122598-B2 Nematic elastomer fiber with mechanical properties of a muscle THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2006-10-17 US disclosed
WO-2006023527-A1 NEMATIC ELASTOMER FIBER WITH MECHANICAL PROPERTIES OF A MUSCLE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2006-03-02 WO disclosed
US-20060041061-A1 Nematic elastomer fiber with mechanical properties of a muscle THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY 2006-02-23 US disclosed