SCHEMBL4558186

SCHEMBL4558186

CCCCCCCCCCCCN1C(=O)NC2(CC(C)(C)N(C(C)=O)C(C)(C)C2)C1=O.NCCCNCCNCCCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.39
CNR1 P21554 3/20 0.36
HDAC3 O15379 5/20 0.36
HDAC4 P56524 5/20 0.36
HDAC1 Q13547 5/20 0.36
HDAC7 Q8WUI4 5/20 0.36
HDAC2 Q92769 5/20 0.36
HDAC10 Q969S8 5/20 0.36
HDAC11 Q96DB2 5/20 0.36
HDAC8 Q9BY41 5/20 0.36
HDAC6 Q9UBN7 5/20 0.36
HDAC9 Q9UKV0 5/20 0.36
HDAC5 Q9UQL6 5/20 0.36
RAB9A P51151 1/20 0.36
PAOX Q6QHF9 1/20 0.32
FAAH O00519 2/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
MGLL Q99685 2/20 0.31
TOP2A P11388 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
SCHEMBL8523173 0.88 TACR1 (0.47) TACR1CNR1RAB9AFAAHPTGS1
SCHEMBL78208 0.88 TACR1 (0.47) TACR1CNR1RAB9AFAAHPTGS1
SCHEMBL21679925 0.88 TACR1 (0.47) TACR1CNR1RAB9AFAAHPTGS1
SCHEMBL6017697 0.80 TACR1 (0.45) TACR1CNR1RAB9A
SCHEMBL11485859 0.76 TACR1 (0.47) TACR1CNR1HDAC4HDAC1HDAC2
SCHEMBL11484911 0.76 TACR1 (0.44) TACR1CNR1RAB9AFAAHPTGS1
SCHEMBL7511083 0.75 CNR1 (0.47) TACR1CNR1RAB9AFAAHPTGS1
SCHEMBL11091144 0.75 CNR1 (0.49) TACR1CNR1FAAHPTGS1PTGS2
SCHEMBL11484816 0.74 CNR1 (0.48) TACR1CNR1RAB9AFAAHPTGS1
SCHEMBL7699126 0.74 CNR1 (0.48) TACR1CNR1RAB9AFAAHPTGS1

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-1498442-B1 Method for the preparation of a polyester block copolymer composition DAICEL CHEM (JP) 2009-02-11 EP disclosed
EP-1498442-A2 Method for the preparation of a polyester block copolymer, a polyester block copolymer composition and method for the preparation thereof Daicel Chemical Industries, Ltd. (JP) 2005-01-19 EP disclosed
EP-1120432-A1 PROCESS FOR THE PRODUCTION OF POLYESTER BLOCK COPOLYMERS, POLYESTER BLOCK COPOLYMER COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2001-08-01 EP disclosed