SCHEMBL28796104

SCHEMBL28796104

CCCCC(Cl)CC(=O)OCl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.37
CA1 P00915 3/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
LMNA P02545 2/20 0.33
FDPS P14324 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL22719982 0.92 GPR84 (0.43) CA2GPR84LMNAFAAH
SCHEMBL27912254 0.82 MGAM (0.41) CA2CA1CYP3A4TSHRATM
SCHEMBL27790069 0.79 FAAH (0.37) CA2CA1CYP3A4TSHRATM
SCHEMBL2313022 0.78 CYP3A4 (0.51) CA2CA1CYP3A4TSHRATM
SCHEMBL23723112 0.77 ZDHHC7 (0.49) CA2RECQLGPR84LMNAFAAH
SCHEMBL28630516 0.77 ZDHHC7 (0.41) CA1GPR84FAAH
SCHEMBL7493361 0.77 CA2 (0.40) CA2CA1MAPK1GPR84FDPS
SCHEMBL6461000 0.77 GPR84 (0.50) CA2TSHRTDP1MAPK1GPR84
SCHEMBL6465070 0.77 GPR84 (0.50) CA2TSHRTDP1MAPK1GPR84
SCHEMBL8609138 0.77 GPR84 (0.50) CA2TSHRTDP1MAPK1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102276548-B Method for synthesizing 2-iminothiazolidine-4-one and derivatives thereof UNIV XI AN JIAOTONG 2013-07-31 CN disclosed
CN-102276548-A Method for synthesizing 2-iminothiazolidine-4-one and derivatives thereof 2011-12-14 CN disclosed