SCHEMBL28409509

SCHEMBL28409509

O=c1cc(CCc2cccc(OCO)c2)oc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.65
▸ HTR2B P41595 5/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ STS P08842 1/20 0.48
▸ HTR2C P28335 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ BCHE P06276 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ CSNK2A3 Q8NEV1 1/20 0.42
▸ LMNA P02545 1/20 0.41

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
SCHEMBL29128897 0.85 PPARG (0.71) PPARGHTR2BHTR3ASTSHTR2C
SCHEMBL30800378 0.85 PPARG (0.71) PPARGHTR2BHTR3ASTSHTR2C
SCHEMBL16972870 0.81 PPARG (0.74) PPARGHTR2BHTR3ASTSSIGMAR1
Flidersiachromone SCHEMBL29408800 0.80 PPARG (1.00) PPARGHTR2BHTR3ASTSSIGMAR1
Flidersiachromone SCHEMBL5826185 0.80 PPARG (1.00) PPARGHTR2BHTR3ASTSSIGMAR1
SCHEMBL19925815 0.75 PPARG (0.69) PPARGHTR2BHTR3ASIGMAR1CYP11B1
SCHEMBL30672825 0.75 PPARG (0.83) PPARGHTR2BSTSHTR2CBCHE
SCHEMBL27883084 0.75 PPARG (0.83) PPARGHTR2BSTSHTR2CBCHE
SCHEMBL24046838 0.75 PPARG (0.78) PPARGHTR2BHTR3ACYP11B1CYP11B2
SCHEMBL8590733 0.74 PPARG (0.74) PPARGHTR2BHTR3ASTSHTR2C

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
CN-111272899-A Method for identifying agilawood produced by thermal department No. 2 中国热带农业科学院热带生物技术研究所 2020-06-12 — — CN claimed
CN-111272899-A Method for identifying agilawood produced by thermal department No. 2 中国热带农业科学院热带生物技术研究所 2020-06-12 — — CN disclosed
CN-111272899-A Method for identifying agilawood produced by thermal department No. 2 中国热带农业科学院热带生物技术研究所 2020-06-12 — — CN disclosed
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