SCHEMBL9418921

SCHEMBL9418921

NC(=O)C=CC(=O)N(CCO)CCO

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.34
ICAM1 P05362 3/20 0.34
ITGAL P20701 3/20 0.34
ESR1 P03372 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL9418918 1.00 ITGB2 (0.34) ITGB2ICAM1ITGALESR1CA12
SCHEMBL31042648 1.00 ITGB2 (0.34) ITGB2ICAM1ITGALESR1CA12
SCHEMBL8896559 0.88 ITGB2 (0.38) ITGB2ICAM1ITGALESR1CA12
SCHEMBL872308 0.81
SCHEMBL9146075 0.81
SCHEMBL4324456 0.79 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL5176137 0.78 CHRNB2 (0.36) ESR1
SCHEMBL5175649 0.78 CHRNB2 (0.36) ESR1
SCHEMBL3094719 0.77 CA12 (0.45) CA12CA1CA2CA9
SCHEMBL3103277 0.77 CA12 (0.45) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355122-B1 COMPOSITIONS OF POLYPHENYLENE OXIDES AND THERMOPLASTIC POLYMERS ALLIED SIGNAL INC (US) 1994-07-13 EP disclosed
US-5162440-A Molding materials with impact resistance ALLIED-SIGNAL INC. (US) 1992-11-10 US disclosed
EP-0355122-A1 COMPOSITIONS OF POLYPHENYLENE OXIDES AND THERMOPLASTIC POLYMERS. ALLIED SIGNAL INC (US) 1990-02-28 EP disclosed
WO-1988008433-A1 COMPOSITIONS OF POLYPHENYLENE OXIDES AND THERMOPLASTIC POLYMERS ALLIED-SIGNAL INC. (US) 1988-11-03 WO disclosed