SCHEMBL7515931

SCHEMBL7515931

CCCCCC[C](CCCC)CCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.55
CES1 P23141 4/20 0.55
TSHR P16473 5/20 0.53
THRB P10828 1/20 0.53
GPR84 Q9NQS5 7/20 0.52
PPARG P37231 7/20 0.52
PPARD Q03181 7/20 0.52
PPARA Q07869 7/20 0.52
HDAC11 Q96DB2 5/20 0.52
PTPN1 P18031 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MEN1 O00255 1/20 0.52
ESR1 P03372 1/20 0.52
ALOX15 P16050 1/20 0.52
PDE4A P27815 1/20 0.52

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
SCHEMBL10921991 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL510987 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL11440566 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL7986117 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL506079 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL1490829 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL1490728 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL10967390 1.00 CES2 (0.55) CES2CES1TSHRTHRBGPR84
SCHEMBL1816891 0.97 CES2 (0.53) CES2CES1TSHRGPR84PPARG
SCHEMBL457194 0.97 CES2 (0.53) CES2CES1TSHRGPR84PPARG

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
EP-1195429-A1 Automatic dishwashing process and automatic dishwashing compositions having improved anti-corrosion characteristics Henkel Kommanditgesellschaft auf Aktien (DE) 2002-04-10 EP claimed