SCHEMBL3683450

SCHEMBL3683450

CCCCCCCCCCCCCCCCC(OCCCC)(OCCCC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
TP53 P04637 1/20 0.42
PLA2G4B P0C869 1/20 0.41
CES2 O00748 1/20 0.40
RARB P10826 3/20 0.39
PPARG P37231 4/20 0.39
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
GPR84 Q9NQS5 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
TLR2 O60603 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
FABP4 P15090 1/20 0.39
ALOX15 P16050 1/20 0.39
PTPN1 P18031 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
SCHEMBL107416 0.98 TSHR (0.41) TSHRTP53PLA2G4BCES2RARB
SCHEMBL28279514 0.92 NAAA (0.42) TSHRTP53PLA2G4BCES2RARB
SCHEMBL580750 0.87 NAAA (0.39) TSHRTP53CES2GPR84ALDH1A1
SCHEMBL10992651 0.85 AKR1B1 (0.47) TSHRPLA2G4BPPARGPPARDPPARA
SCHEMBL20856996 0.82 LPAR3 (0.44) TSHRCES2PPARGPPARDPPARA
SCHEMBL12245346 0.82 CES2 (0.37) TSHRTP53PLA2G4BCES2MEN1
SCHEMBL19692733 0.82 ALDH1A1 (0.41) TSHRTP53CES2PPARGPPARD
SCHEMBL107415 0.81 CES2 (0.38) CES2ALDH1A1
SCHEMBL10936529 0.80 ALDH1A1 (0.40) TSHRTP53PLA2G4BCES2GPR84
SCHEMBL30441966 0.80 CES2 (0.42) TSHRCES2PPARGPPARDPPARA

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-2223959-A1 TIRE Bridgestone Corporation (JP) 2010-09-01 EP disclosed