SCHEMBL9706415

SCHEMBL9706415

O=C1OCCOC(=O)c2ccc(cc2)-c2ccc1cc2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
LMNA P02545 3/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
CTRC Q99895 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
FAAH O00519 1/20 0.34
NAAA Q02083 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL22419 0.97 ITGB2 (0.43) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL17628649 0.97 ITGB2 (0.43) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL3874923 0.97 ITGB2 (0.43) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL21436797 0.94 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
Hydrochloric Acid SCHEMBL28300134 0.94 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL29958439 0.94 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
Water SCHEMBL27300672 0.94 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
Cyclohexane SCHEMBL483591 0.92 ITGB2 (0.39) ITGB2ICAM1ITGALLMNACRHBP
Ethylene SCHEMBL5827384 0.92 ITGB2 (0.39) ITGB2ICAM1ITGALLMNACRHBP
Oxirane SCHEMBL15638093 0.92 LMNA (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5138022-A Fibers, films, molding materials THE DOW CHEMICAL COMPANY (US) 1992-08-11 US disclosed