SCHEMBL8675585

SCHEMBL8675585

C=CC(=C)CCCCCCC.C=CC(=C)CCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
FAAH O00519 1/20 0.44
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42
PDE4A P27815 1/20 0.42

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
SCHEMBL136458 1.00 TSHR (0.44) TSHRCES2CES1FAAHGPR84
SCHEMBL145912 1.00 TSHR (0.44) TSHRCES2CES1FAAHGPR84
SCHEMBL2564752 1.00 TSHR (0.44) TSHRCES2CES1FAAHGPR84
SCHEMBL2578772 1.00 TSHR (0.44) TSHRCES2CES1FAAHGPR84
SCHEMBL136937 1.00 TSHR (0.44) TSHRCES2CES1FAAHGPR84
SCHEMBL23522274 1.00 TSHR (0.44) TSHRCES2CES1FAAHGPR84
SCHEMBL1130588 1.00 TSHR (0.44) TSHRCES2CES1FAAHGPR84
SCHEMBL2563420 1.00 TSHR (0.44) TSHRCES2CES1FAAHGPR84
SCHEMBL20918222 1.00 TSHR (0.44) TSHRCES2CES1FAAHGPR84
SCHEMBL2565813 1.00 TSHR (0.44) TSHRCES2CES1FAAHGPR84

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
US-5721317-A COATINGS, SEALANTS, ADHESIVES FOR ASPHALTS SHELL OIL COMPANY (US) 1998-02-24 US disclosed