SCHEMBL9640893

SCHEMBL9640893

C=CC(=O)OC(=O)C(=C)CCCCCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.46
HPGD P15428 1/20 0.46
FAAH O00519 1/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
THRB P10828 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
GPR84 Q9NQS5 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39

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
SCHEMBL9651226 1.00 TSHR (0.46) TSHRHPGDFAAHCES2CES1
SCHEMBL1061914 0.98 TSHR (0.47) TSHRHPGDFAAHCES2CES1
SCHEMBL5374418 0.93 TSHR (0.48) TSHRHPGDFAAHCES2CES1
SCHEMBL1140090 0.86 PAOX (0.38) TSHRHPGDALDH1A1
SCHEMBL22829694 0.85 TSHR (0.42) TSHRHPGDCES2CES1THRB
SCHEMBL28817979 0.85 CES2 (0.50) TSHRCES2CES1PPARGPPARD
SCHEMBL27504162 0.85 CES2 (0.50) TSHRCES2CES1PPARGPPARD
SCHEMBL5510815 0.85 CES2 (0.50) TSHRCES2CES1PPARGPPARD
Acrylic Acid Methyl Ester SCHEMBL28067179 0.83 TSHR (0.43) TSHRHPGDFAAHCES2CES1
Acrylic Acid Methyl Ester SCHEMBL28070102 0.83 TSHR (0.43) TSHRHPGDFAAHCES2CES1

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-0317180-B1 TEMPERATURE-CONTROLLED ACTIVE AGENT DISPENSER LANDEC LABS. INC. (US) 1992-07-29 EP disclosed
WO-1989004648-A1 TEMPERATURE-CONTROLLED ACTIVE AGENT DISPENSER LANDEC LABS, INC. (US) 1989-06-01 WO disclosed
EP-0317180-A1 Temperature-controlled active agent dispenser LANDEC LABS. INC. (US) 1989-05-24 EP disclosed