SCHEMBL6502426

SCHEMBL6502426

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.42
PPARD Q03181 4/20 0.42
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
SRC P12931 2/20 0.36
ICMT O60725 3/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
MTNR1A P48039 1/20 0.35
F9 P00740 2/20 0.35
F10 P00742 1/20 0.35
PRKD3 O94806 1/20 0.34
PRKD1 Q15139 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34

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
SCHEMBL6530111 0.92 SRC (0.38) FFAR1PPARDCYP19A1CYP11B1CYP11B2
SCHEMBL6529916 0.88 CYP2D6 (0.39)
SCHEMBL6529689 0.88 LMNA (0.37) FFAR1
SCHEMBL6528500 0.86 CTSA (0.39) FFAR1PPARDF10
SCHEMBL6530992 0.86 LMNA (0.40)
SCHEMBL6528900 0.85 MMP12 (0.39) FFAR1F10
SCHEMBL6530514 0.83 FDFT1 (0.41) ICMTRXRARXRBF9
SCHEMBL6502688 0.83 FFAR1 (0.48) FFAR1PPARDCYP19A1CYP11B1CYP11B2
SCHEMBL6527017 0.82 MMP12 (0.40)
SCHEMBL6506648 0.80 PTPN11 (0.40)

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