SCHEMBL7928664

SCHEMBL7928664

O=C1OCCOC(=O)C(=O)c2ccc(cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
LMNA P02545 3/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 2/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.33
FAAH O00519 1/20 0.33
NAAA Q02083 1/20 0.33
PTPRC P08575 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
TP53 P04637 1/20 0.32
PTGS1 P23219 3/20 0.32

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
SCHEMBL3874923 0.82 ITGB2 (0.43) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL17628649 0.82 ITGB2 (0.43) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL22419 0.82 ITGB2 (0.43) ITGB2ICAM1ITGALLMNACRHBP
Hydrochloric Acid SCHEMBL28300134 0.80 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
Water SCHEMBL27300672 0.80 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL9706415 0.80 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL21436797 0.80 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL29958439 0.80 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
Ethylene SCHEMBL5827384 0.78 ITGB2 (0.39) ITGB2ICAM1ITGALLMNACRHBP
Cyclohexane SCHEMBL483591 0.78 ITGB2 (0.39) ITGB2ICAM1ITGALLMNACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1088034-A1 HIGH BARRIER POLYESTER/PHENYLENDEDI(OXYACETIC ACID) POLYESTER BLENDS EASTMAN CHEMICAL COMPANY (US) 2001-04-04 EP disclosed
WO-1999065989-A1 HIGH BARRIER POLYESTER / PHENYLENEDI (OXYACETIC ACID) POLYESTER BLENDS EASTMAN CHEMICAL COMPANY (US) 1999-12-23 WO disclosed