SCHEMBL5573524

SCHEMBL5573524

CC(CO)(C[C]=O)CCCO

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 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
SCHEMBL2977737 0.81
SCHEMBL10991502 0.80 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL12191374 0.78 SMN1; SMN2 (0.40) CYP4F2CYP4A11TDP1PTGS1KCNH2
SCHEMBL10928501 0.76 CYP4F2 (0.39) CYP4F2CYP4A11TDP1
SCHEMBL9346162 0.74 CYP4F2 (0.42) CYP4F2CYP4A11TDP1
1,4-Butanediol SCHEMBL1318678 0.72 SMN1; SMN2 (0.44) CYP4F2CYP4A11TDP1PTGS1KCNH2
SCHEMBL14978154 0.72 SMN1; SMN2 (0.44) CYP4F2CYP4A11TDP1
SCHEMBL5931138 0.72 SMN1; SMN2 (0.41) CYP4F2CYP4A11
SCHEMBL28309843 0.70 LMNA (0.47) CYP4F2CYP4A11TDP1PTGS1KCNH2
1,5-Pentanediol SCHEMBL5982163 0.70 LMNA (0.47) CYP4F2CYP4A11TDP1PTGS1KCNH2

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
EP-1827370-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR Showa Denko K.K. (JP) 2007-09-05 EP disclosed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 WO disclosed