SCHEMBL9500521

SCHEMBL9500521

CCCCCCCCN(CCCCCCN(CCCCCCCC)C(=O)OCC)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA9 Q16790 3/20 0.45
CA2 P00918 1/20 0.45
DNM1 Q05193 2/20 0.42
MGLL Q99685 1/20 0.41
ZDHHC20 Q5W0Z9 2/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
NAAA Q02083 1/20 0.41
DGKA P23743 1/20 0.41
FAAH O00519 2/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2436139 1.00 CA12 (0.45) CA12CA1CA9CA2DNM1
SCHEMBL25276950 1.00 CA12 (0.45) CA12CA1CA9CA2DNM1
SCHEMBL6897040 1.00 CA12 (0.45) CA12CA1CA9CA2DNM1
SCHEMBL25227673 1.00 CA12 (0.45) CA12CA1CA9CA2DNM1
SCHEMBL25276942 1.00 CA12 (0.45) CA12CA1CA9CA2DNM1
SCHEMBL25225993 1.00 CA12 (0.45) CA12CA1CA9CA2DNM1
SCHEMBL25275015 1.00 CA12 (0.45) CA12CA1CA9CA2DNM1
SCHEMBL25271947 1.00 CA12 (0.45) CA12CA1CA9CA2DNM1
SCHEMBL4647473 1.00 CA12 (0.45) CA12CA1CA9CA2DNM1
SCHEMBL9111738 1.00 CA12 (0.45) CA12CA1CA9CA2DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320235-B1 A METHOD FOR PRODUCING ALIPHATIC O-ARYLURETHANES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1993-04-28 EP disclosed
US-4925971-A BLOCKED ALIPHATIC ISOCYANATES, CARBAMYLATION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1990-05-15 US disclosed
EP-0320235-A2 A method for producing aliphatic O-arylurethanes Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-06-14 EP disclosed