SCHEMBL9748007

SCHEMBL9748007

NCCCOCCCCOCCCN.NCCCOCCOCCOCCCN

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 1/20 0.50
NFKB1 P19838 1/20 0.40
CYP3A4 P08684 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
DNM1 Q05193 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL17188316 1.00 ODC1 (0.50) ODC1NFKB1CYP3A4CA12CA1
SCHEMBL1344033 0.97 ODC1 (0.47) ODC1NFKB1CYP3A4CA12CA1
SCHEMBL26220885 0.97 ODC1 (0.47) ODC1NFKB1CYP3A4CA12CA1
SCHEMBL16901521 0.97 ODC1 (0.47) ODC1NFKB1CYP3A4CA12CA1
Ethylenediamine SCHEMBL10796877 0.96 ODC1 (0.53) ODC1NFKB1CYP3A4CA12CA1
SCHEMBL11126194 0.96 ODC1 (0.53) ODC1NFKB1CYP3A4CA12CA1
SCHEMBL18756832 0.96 ODC1 (0.53) ODC1NFKB1CYP3A4CA12CA1
SCHEMBL2270584 0.96 ODC1 (0.53) ODC1NFKB1CYP3A4CA12CA1
SCHEMBL8738447 0.96 ODC1 (0.53) ODC1NFKB1CYP3A4CA12CA1
SCHEMBL25842 0.96 ODC1 (0.53) ODC1NFKB1CYP3A4CA12CA1

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-0200397-B1 AMINE-EPOXIDE REACTION PRODUCTS AND AQUEOUS DISPERSIONS THEREOF USEFUL IN COATING COMPOSITIONS SUITABLE FOR ELECTRODEPOSITION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-26 EP disclosed
US-5034434-A Coating compositions for application by electrodeposition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-07-23 US disclosed
US-5026743-A Cationic polymers for electrodepositable coatings; polyepoxide, epoxy resin and polyether homo- and copolymers; smoothness IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-25 US disclosed
EP-0200397-A2 Amine-epoxide reaction products and aqueous dispersions thereof useful in coating compositions suitable for electrodeposition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-05 EP disclosed