SCHEMBL5696589

SCHEMBL5696589

CCCCN(CCCCCCN(CCCC)C(=O)OCC)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA9 Q16790 3/20 0.47
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP8 P22894 1/20 0.44
CA2 P00918 1/20 0.41
DNM1 Q05193 1/20 0.38
KDM4C Q9H3R0 5/20 0.38
KDM5A P29375 4/20 0.38
PHF8 Q9UPP1 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4A O75164 2/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
ALDH2 P05091 1/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL8057883 0.98 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL9500521 0.96 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL4647473 0.96 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL2436139 0.96 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL25275015 0.96 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL25225993 0.96 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL25227673 0.96 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL25271947 0.96 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL6897040 0.96 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL25276942 0.96 CA12 (0.45) CA12CA1CA9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
US-20020161160-A1 Preparation of organic polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2002-10-31 US disclosed
EP-1238968-A1 Process for the preparation of organic polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed
US-5616784-A Thermal cleavage of carbamic esters BASF AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed
US-5386053-A Multistep, continuous preparation of organic polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1995-01-31 US disclosed
US-4613466-A ZINC OR ALLOY CATALYST FOR THERMAL CLEAVAGE OF URETHANES BASF AKTIENGESELLSCHAFT (DE) 1986-09-23 US disclosed
US-4596678-A Multiple-step process for the preparation of hexamethylene diisocyanate-1,6 and/or isomeric aliphatic diisocyanates with six carbon atoms in the alkylene residue BASF AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed