SCHEMBL6502428

SCHEMBL6502428

CCOc1ccc2cc(-c3cccc(CCC(COC(C)=O)(COC(C)=O)CC(N)=O)c3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.44
PPARD Q03181 4/20 0.44
SLC13A5 Q86YT5 2/20 0.43
SRC P12931 2/20 0.40
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
ICMT O60725 4/20 0.37
PRKD3 O94806 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL6530114 0.91 SLC13A5 (0.45) FFAR1PPARDSLC13A5SRCCYP19A1
SCHEMBL6529918 0.85 SLC13A5 (0.45) SLC13A5KCNH2
SCHEMBL6529691 0.85 SLC13A5 (0.43) FFAR1SLC13A5
SCHEMBL6530994 0.84 S1PR1 (0.43) SLC13A5
SCHEMBL6528501 0.83 CTSA (0.38) FFAR1PPARDSLC13A5
SCHEMBL6528902 0.83 MMP3 (0.38) FFAR1SLC13A5
SCHEMBL6530516 0.81 SLC13A5 (0.53) SLC13A5
SCHEMBL6527018 0.80 RARB (0.41)
SCHEMBL6506651 0.77 S1PR1 (0.45)
SCHEMBL6502525 0.77 CYP11B1 (0.47) FFAR1PPARDSLC13A5CYP19A1CYP11B1

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
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed