SCHEMBL8950746

SCHEMBL8950746

NCCCOCCOOOCCOCCCN

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 1/20 0.41
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.32
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
DNM1 Q05193 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL3233341 0.86 ODC1 (0.43) ODC1CYP3A4NFKB1CA12CA1
SCHEMBL25842 0.85 ODC1 (0.53) ODC1CYP3A4NFKB1CA12CA1
SCHEMBL11126194 0.85 ODC1 (0.53) ODC1CYP3A4NFKB1CA12CA1
SCHEMBL2127863 0.85 ODC1 (0.53) ODC1CYP3A4NFKB1CA12CA1
SCHEMBL2270584 0.85 ODC1 (0.53) ODC1CYP3A4NFKB1CA12CA1
SCHEMBL49053 0.85 ODC1 (0.53) ODC1CYP3A4NFKB1CA12CA1
SCHEMBL18756832 0.85 ODC1 (0.53) ODC1CYP3A4NFKB1CA12CA1
SCHEMBL9748007 0.82 ODC1 (0.50) ODC1CYP3A4NFKB1CA12CA1
SCHEMBL1397430 0.82 ODC1 (0.50) ODC1NFKB1CA12CA1CA2
SCHEMBL5971926 0.82 ODC1 (0.50) ODC1CYP3A4NFKB1CA12CA1

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
US-5567748-A A REACTION PRODUCT OF HYDROPHILIC POLYOXYALKYLENE AMINES AND DIGLYCIDYL ETHERS OF A POLYALKYLENE GLYCOL; CURING AGENTS, EMULSIFIERS, DISPERSANTS; WATERBASE PAINTS THE DOW CHEMICAL COMPANY (US) 1996-10-22 US disclosed
EP-0617726-B1 WATER COMPATIBLE AMINE TERMINATED RESIN USEFUL FOR CURING EPOXY RESINS DOW CHEMICAL CO (US) 1996-01-31 EP disclosed
EP-0617726-A1 WATER COMPATIBLE AMINE TERMINATED RESIN USEFUL FOR CURING EPOXY RESINS. DOW CHEMICAL CO (US) 1994-10-05 EP disclosed
WO-1993012187-A1 WATER COMPATIBLE AMINE TERMINATED RESIN USEFUL FOR CURING EPOXY RESINS THE DOW CHEMICAL COMPANY (US) 1993-06-24 WO disclosed