SCHEMBL7745076

SCHEMBL7745076

CC(CCCO)(N=NC(C)(CCCO)C(=O)NC(O)O)C(=O)NC(O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
PTGS1 P23219 1/20 0.34
KCNH2 Q12809 1/20 0.34
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL818432 0.71 CYP4F2 (0.40) CYP4F2CYP4A11TDP1
1,5-Pentanediol SCHEMBL4651355 0.61 LMNA (0.45) CYP4F2CYP4A11PTGS1KCNH2MMP1
SCHEMBL7248706 0.58 TDP1 (0.40) CYP4F2CYP4A11PTGS1KCNH2TDP1
1,4-Butanediol SCHEMBL3009897 0.58 GPR84 (0.42) CYP4F2CYP4A11PTGS1KCNH2TDP1
1,4-Butanediol SCHEMBL28968699 0.57 CYP4A11 (0.42) CYP4F2CYP4A11TDP1
Pivalate SCHEMBL6905029 0.57 GPR84 (0.46) CYP4F2CYP4A11TDP1
SCHEMBL22236855 0.57 PTGS1 (0.73) PTGS1KCNH2TDP1
SCHEMBL25319811 0.56 CYP4F2 (0.41) CYP4F2CYP4A11PTGS1KCNH2TDP1
SCHEMBL5542570 0.56 TDP1 (0.55) PTGS1KCNH2TDP1
SCHEMBL5948432 0.56 TSHR (0.43) CYP4F2CYP4A11TDP1

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-0672739-B1 THERMOREVERSIBLE THICKENER SANYO CHEMICAL IND LTD (JP) 2001-01-03 EP disclosed
US-5658981-A WITH WATER SOLUBLE POLYMER THAT CONTAINS MONOMER THAT IS THE REACTION PRODUCT OF A POLYALKYLENE OXIDE, A CYCLIC OR ACYCLIC AMINE AND AN UNSATURATED ACID, OPTIONALLY CONTAINING A COMONOMER SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-19 US disclosed
EP-0672739-A1 THERMOREVERSIBLE THICKENER SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1995-09-20 EP disclosed