SCHEMBL8466946

SCHEMBL8466946

CCCCOC(=O)c1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ESR1 P03372 7/20 0.55
TSHR P16473 3/20 0.55
LMNA P02545 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
MAPK1 P28482 1/20 0.55
NR1H2 P55055 1/20 0.55
RNASEL Q05823 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
PDE4D Q08499 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL31634617 1.00 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AESR1TSHR
SCHEMBL503416 0.96 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AESR1TSHR
SCHEMBL5077390 0.94 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AESR1TSHR
SCHEMBL9718115 0.94 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AESR1TSHR
SCHEMBL31634638 0.94 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AESR1TSHR
SCHEMBL8179212 0.91 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AESR1TSHR
SCHEMBL2404563 0.91 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AESR1TSHR
SCHEMBL2412690 0.91 TDP1 (0.51) ALDH1A1MEN1KMT2AESR1TSHR
SCHEMBL2407617 0.90 TDP1 (0.50) ALDH1A1MEN1KMT2AESR1LMNA
SCHEMBL2406816 0.90 TDP1 (0.50) ALDH1A1MEN1KMT2AESR1LMNA

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
EP-0613916-B1 Moulding composition based on anhydride-group terminated polyarylene ethers BASF AG (DE) 1999-05-06 EP claimed
US-5457169-A Molding materials based on polyarylene ethers having terminal anhydride groups BASF AKTIENGESELLSCHAFT (DE) 1995-10-10 US claimed
EP-0613916-A1 Moulding composition based on anhydride-group terminated polyarylene ethers BASF Aktiengesellschaft (DE) 1994-09-07 EP claimed
WO-2014152543-A2 OXETANE-CONTAINING COMPOUNDS AND COMPOSITIONS THEREOF Henkel IP & Holding GmbH (DE) 2014-09-25 WO disclosed
US-20140264165-A1 OXETANE-CONTAINING COMPOUNDS AND COMPOSITIONS THEREOF HENKEL CORPORATION (US) 2014-09-18 US disclosed
EP-2760910-A2 OXETANE-CONTAINING COMPOUNDS AND COMPOSITIONS THEREOF Henkel AG&Co. KGAA (DE) 2014-08-06 EP disclosed
US-20140209951-A1 OXETANE-CONTAINING COMPOUNDS AND COMPOSITIONS THEREOF Henkel IP & Holding GmbH (DE) 2014-07-31 US disclosed
WO-2013049154-A2 OXETANE-CONTAINING COMPOUNDS AND COMPOSITIONS THEREOF HENKEL AG & CO. KGAA (DE) 2013-04-04 WO disclosed
EP-0613916-B1 Moulding composition based on anhydride-group terminated polyarylene ethers BASF AG (DE) 1999-05-06 EP disclosed
US-5457169-A Molding materials based on polyarylene ethers having terminal anhydride groups BASF AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed
EP-0613916-A1 Moulding composition based on anhydride-group terminated polyarylene ethers BASF Aktiengesellschaft (DE) 1994-09-07 EP disclosed