SCHEMBL2776515

SCHEMBL2776515

CCC(c1cccc(OCCO)c1)c1cccc(OCCO)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.48
CYSLTR2 Q9NS75 3/20 0.44
CYSLTR1 Q9Y271 3/20 0.44
KMT2A Q03164 2/20 0.44
CTSA P10619 1/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MEN1 O00255 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NR1I2 O75469 1/20 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
SCHEMBL28368864 0.92 KDM4E (0.50) ALDH1A1RECQLKDM4ELMNASMN1; SMN2
SCHEMBL28690640 0.84 ALDH1A1 (0.47) ALDH1A1RECQLCTSACHRNB2CHRNA4
SCHEMBL10513076 0.84 ALDH1A1 (0.46) ALDH1A1RECQLKDM4ELMNASMN1; SMN2
SCHEMBL7638337 0.83 KDM4E (0.62) ALDH1A1RECQLKDM4ELMNASMN1; SMN2
SCHEMBL5390591 0.81 ALDH1A1 (0.60) ALDH1A1RECQLSMN1; SMN2NR1I2
SCHEMBL4307974 0.80 ALDH1A1 (0.48) ALDH1A1RECQLKDM4ELMNASMN1; SMN2
SCHEMBL18765922 0.80 ALDH1A1 (0.48) ALDH1A1RECQLKDM4ELMNASMN1; SMN2
SCHEMBL18765924 0.80 ALDH1A1 (0.48) ALDH1A1RECQLKDM4ELMNASMN1; SMN2
SCHEMBL4568883 0.80 MAPK1 (0.47) ALDH1A1RECQLKDM4ELMNASMN1; SMN2
SCHEMBL8723946 0.79 ALDH1A1 (0.52) ALDH1A1RECQLKDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010089035-A9 LAYER STRUCTURE AND FILMS FOR ID DOCUMENTS HAVING IMPROVED PROPERTIES FOR LASER ENGRAVING BAYER MATERIALSCIENCE AG (DE) 2010-09-30 WO disclosed
WO-2010091796-A1 IMPROVED METHOD FOR PRODUCING A LAMINATED LAYER COMPOSITE BAYER MATERIALSCIENCE AG (DE) 2010-08-19 WO disclosed
WO-2010089035-A1 LAYER STRUCTURE AND FILMS FOR ID DOCUMENTS HAVING IMPROVED PROPERTIES FOR LASER ENGRAVING BAYER MATERIALSCIENCE AG (DE) 2010-08-12 WO disclosed
EP-2197656-A2 METHOD FOR PRODUCING A DEEP-DRAWN FILM PART FROM A THERMOPLASTIC MATERIAL Bayer MaterialScience AG (DE) 2010-06-23 EP disclosed
EP-2125929-A1 OXYGEN-SCAVENGING POLYESTER COMPOSITIONS USEFUL IN PACKAGING Eastman Chemical Company (US) 2009-12-02 EP disclosed
WO-2009043539-A2 METHOD FOR PRODUCING A DEEP-DRAWN FILM PART FROM A THERMOPLASTIC MATERIAL BAYER MATERIALSCIENCE AG (DE) 2009-04-09 WO disclosed
WO-2008082468-A1 OXYGEN-SCAVENGING POLYESTER COMPOSITIONS USEFUL IN PACKAGING EASTMAN CHEMICAL COMPANY (US) 2008-07-10 WO disclosed
EP-1417247-A1 LOW INTRINSIC VISCOSITY AND LOW ACETALDEHYDE CONTENT POLYESTER, HOLLOW PREFORMS AND CONTAINERS OBTAINED FROM SAID POLYMER Nestlé Waters Management & Technology, (Societe anonyme) (FR) 2004-05-12 EP disclosed
EP-1358245-A2 ADSORBER SYSTEM TO REPLACE WATER COLUMN IN A POLYESTER PROCESS EASTMAN CHEMICAL COMPANY (US) 2003-11-05 EP disclosed
WO-2003011940-A1 LOW INTRINSIC VISCOSITY AND LOW ACETALDEHYDE CONTENT POLYESTER, HOLLOW PREFORMS AND CONTAINERS OBTAINED FROM SAID POLYMER NESTLE WATERS MANAGEMENT & TECHNOLOGY (SOCIETE ANONYME) (FR) 2003-02-13 WO disclosed
WO-2002046269-A2 ADSORBER SYSTEM TO REPLACE WATER COLUMN IN A POLYESTER PROCESS EASTMAN CHEMICAL COMPANY (US) 2002-06-13 WO disclosed