SCHEMBL3240738

SCHEMBL3240738

CC(CC(=O)OCCOC(=O)CC(C)c1ccc(O)c(C(C)(C)C)c1)c1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ATM Q13315 2/20 0.44
GAA P10253 2/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ESRRA P11474 2/20 0.42
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
MIF P14174 1/20 0.40
TYR P14679 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
NR1H4 Q96RI1 5/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL9359363 0.89 KDM4E (0.40) ALDH1A1ATMGAAXBP1NPSR1
SCHEMBL26324469 0.87 ALDH1A1 (0.46) ALDH1A1ATMGAAXBP1NPSR1
SCHEMBL7792915 0.82 FFAR1 (0.45) ALDH1A1ATMGAAXBP1NPSR1
SCHEMBL6227382 0.78 GAA (0.39) ALDH1A1ATMGAAXBP1NPSR1
SCHEMBL4639347 0.78 GAA (0.43) ALDH1A1ATMGAAXBP1NPSR1
SCHEMBL27882293 0.78 LMNA (0.39) ALDH1A1ATMGAAXBP1NPSR1
SCHEMBL3424148 0.77 ESR1 (0.43) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL8859110 0.77 VCAM1 (0.41) ALDH1A1ATMGAANPSR1LMNA
SCHEMBL11255729 0.76 VCAM1 (0.39) ALDH1A1GAALMNAALOX15MAPT
SCHEMBL10447993 0.76 ATM (0.43) ALDH1A1ATMGAAXBP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110903-A1 POLYURETHANE ELASTIC FIBER TORAY OPELONTEX CO., LTD. (JP) 2024-05-30 WO disclosed
US-20100249285-A1 ELASTIC POLYURETHANE YARN AND PROCESS FOR PRODUCTION THEREOF INVISTA NORTH AMERICA S.A.R.I. (US) 2010-09-30 US disclosed
EP-2163665-A1 ELASTIC POLYURETHANE YARN AND PROCESS FOR PRODUCTION THEREOF Opelontex Co., Ltd. (JP) 2010-03-17 EP disclosed
EP-1401946-B1 SPANDEX CONTAINING A MIXTURE OF PHENOLIC COMPOUNDS INVISTA TECH SARL (US) 2006-12-27 EP disclosed
US-6846866-B2 Spandex containing a mixture of phenolic INVISTA NORTH AMERICA S.A.R.L. (US) 2005-01-25 US disclosed
EP-1401946-A1 SPANDEX CONTAINING A MIXTURE OF PHENOLIC COMPOUNDS E. I. du Pont de Nemours and Company (US) 2004-03-31 EP disclosed
US-20030073772-A1 Spandex containing a mixture of phenolic THE LYCRA COMPANY LLC 2003-04-17 US disclosed
WO-2002098970-A1 SPANDEX CONTAINING A MIXTURE OF PHENOLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-12-12 WO disclosed