SCHEMBL6502688

SCHEMBL6502688

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.48
PPARD Q03181 4/20 0.48
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP19A1 P11511 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
MTNR1A P48039 2/20 0.41
FFAR4 Q5NUL3 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
SLC13A5 Q86YT5 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 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
SCHEMBL6502426 0.83 FFAR1 (0.42) FFAR1PPARDCYP11B1CYP11B2CYP19A1
SCHEMBL6502683 0.83 FFAR1 (0.48) FFAR1PPARDCYP11B1CYP11B2CYP19A1
SCHEMBL6505456 0.78 SLC13A5 (0.48) FFAR1RXRARXRBFFAR4SLC13A5
SCHEMBL6507161 0.77 RARB (0.46)
SCHEMBL6502428 0.76 FFAR1 (0.44) FFAR1PPARDCYP11B1CYP11B2CYP19A1
SCHEMBL6499914 0.75 CYP4F2 (0.55) FFAR1
SCHEMBL6501062 0.73 TYR (0.45)
SCHEMBL6530111 0.73 SRC (0.38) FFAR1PPARDCYP11B1CYP11B2CYP19A1
SCHEMBL6502525 0.73 CYP11B1 (0.47) FFAR1PPARDCYP11B1CYP11B2CYP19A1
SCHEMBL6505023 0.71 ALDH1A1 (0.55)

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