SCHEMBL6502683

SCHEMBL6502683

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.48
PPARD Q03181 4/20 0.48
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MTNR1A P48039 2/20 0.43
ACACB O00763 2/20 0.42
ACACA Q13085 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
SRC P12931 1/20 0.39
SLC13A5 Q86YT5 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
SCHEMBL6502688 0.83 FFAR1 (0.48) FFAR1PPARDCYP19A1CYP11B1CYP11B2
SCHEMBL6505454 0.80 ACACB (0.49) FFAR1MTNR1AACACBACACARXRA
SCHEMBL6507158 0.78 RARB (0.45)
SCHEMBL6502426 0.77 FFAR1 (0.42) FFAR1PPARDCYP19A1CYP11B1CYP11B2
SCHEMBL6499912 0.76 CYP4F2 (0.53) FFAR1ACACB
SCHEMBL6501058 0.75 OPRM1 (0.47)
SCHEMBL6505903 0.73 MMP12 (0.64) FFAR1ACACB
SCHEMBL6502525 0.73 CYP11B1 (0.47) FFAR1PPARDCYP19A1CYP11B1CYP11B2
SCHEMBL6505017 0.73 MMP12 (0.51)
SCHEMBL6502428 0.72 FFAR1 (0.44) FFAR1PPARDCYP19A1CYP11B1CYP11B2

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