SCHEMBL6505454

SCHEMBL6505454

CCCCOc1cccc(-c2ccc(CCC(C)C(OC(C)=O)OC(C)=O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.49
ACACA Q13085 3/20 0.49
FDFT1 P37268 1/20 0.48
SLC13A5 Q86YT5 2/20 0.48
MMP12 P39900 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
NR1H4 Q96RI1 1/20 0.42
CYP2D6 P10635 1/20 0.42
PLA2G4B P0C869 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 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
SCHEMBL6507158 0.84 RARB (0.45) MMP12
SCHEMBL6505456 0.82 SLC13A5 (0.48) ACACBACACAFDFT1SLC13A5RXRA
SCHEMBL6505903 0.80 MMP12 (0.64) ACACBFDFT1MMP12FFAR1
SCHEMBL6502683 0.80 FFAR1 (0.48) ACACBACACASLC13A5RXRARXRB
SCHEMBL6530514 0.77 FDFT1 (0.41) ACACBACACAFDFT1SLC13A5MMP12
SCHEMBL9253929 0.74 LMNA (0.58) ACACBACACARXRARXRBNR1H4
SCHEMBL23590265 0.74 RXRA (0.59) ACACBACACARXRARXRBNR1H4
SCHEMBL6499912 0.73 CYP4F2 (0.53) ACACBCYP2D6FFAR1
SCHEMBL2568516 0.72 SMN1; SMN2 (0.53) FDFT1SLC13A5NR1H4CYP2D6
SCHEMBL6528364 0.72 S1PR1 (0.61) SLC13A5

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