SCHEMBL28823256

SCHEMBL28823256

CCC=C(O)C(O)(OC(=O)CCCCCCCC)OC(=O)CCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.45
DGKA P23743 1/20 0.44
TSHR P16473 5/20 0.42
LMNA P02545 2/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PDE4A P27815 1/20 0.41

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
SCHEMBL28034595 0.87 PAM (0.47) PAMDGKATSHRLMNAGPR84
SCHEMBL9507153 0.81 DGKA (0.52) PAMDGKATSHRLMNAGPR84
SCHEMBL25682071 0.75 DGKA (0.57) PAMDGKATSHRLMNAGPR84
SCHEMBL27695234 0.75 DGKA (0.57) PAMDGKATSHRLMNAGPR84
SCHEMBL27429395 0.73 FAAH (0.55) PAMDGKALMNAMEN1KMT2A
SCHEMBL7593373 0.73 FAAH (0.55) PAMDGKALMNAMEN1KMT2A
Hydrogen Peroxide SCHEMBL28772651 0.73 DGKA (0.55) PAMDGKATSHRLMNAGPR84
SCHEMBL21611170 0.73 DGKA (0.55) PAMDGKATSHRLMNAGPR84
SCHEMBL25682080 0.73 DGKA (0.59) PAMDGKATSHRLMNAGPR84
SCHEMBL27623509 0.73 DGKA (0.54) PAMDGKATSHRLMNAGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105163713-A Hair care shampoo HENKEL AG & CO KG 2015-12-16 CN disclosed