SCHEMBL380332

SCHEMBL380332

C=COC(=O)CCCCCCCCCCC.CCCCCCC(C)(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
ACLY P53396 1/20 0.46
PAM P19021 2/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
DGKA P23743 1/20 0.41
LMNA P02545 2/20 0.39
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL2550532 0.94 TSHR (0.50) TSHRACLYPAMDGKALMNA
SCHEMBL11662512 0.90 TSHR (0.50) TSHRACLYPAMDGKALMNA
SCHEMBL245767 0.88 TSHR (0.50) TSHRPAMDGKALMNAALDH1A1
SCHEMBL11661902 0.87 TSHR (0.53) TSHRPAMDGKALMNAGPR84
SCHEMBL27546692 0.85 ACLY (0.49) TSHRACLYACACBACACAPPARA
Bicarbonate SCHEMBL3894794 0.84 TSHR (0.62) TSHRPAMDGKALMNAGPR84
SCHEMBL10543145 0.84 TSHR (0.67) TSHRPAMDGKALMNAGPR84
SCHEMBL680310 0.84 TSHR (0.67) TSHRPAMDGKALMNAGPR84
SCHEMBL7540354 0.84 TSHR (0.67) TSHRPAMDGKALMNAGPR84
SCHEMBL953501 0.84 TSHR (0.67) TSHRPAMDGKALMNAGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408331-A2 COMPOSITION COMPRISING THE COMBINATION OF MADECASSOSIDE, OF AN ARGININE AND OF POLYSORBATE L'Oréal (FR) 2012-01-25 EP disclosed
WO-2010105951-A2 COMPOSITION COMPRISING THE COMBINATION OF MADECASSOSIDE, OF AN ARGININE AND OF POLYSORBATE L'OREAL (FR) 2010-09-23 WO disclosed