SCHEMBL6528501

SCHEMBL6528501

CC(=O)OCC(CCc1cccc(-c2ccc(OCC(C)C)cc2)c1)(COC(C)=O)CC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.38
SLC13A5 Q86YT5 4/20 0.37
FFAR1 O14842 4/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCL2 P10415 1/20 0.35
AKR1B1 P15121 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
ACACB O00763 1/20 0.34
PPARD Q03181 1/20 0.34
TARBP2 Q15633 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
SCHEMBL6500410 0.90 ACACB (0.42) S1PR1NPC1TP53GAAMAPT
SCHEMBL6529691 0.87 SLC13A5 (0.43) SLC13A5FFAR1S1PR1S1PR3BCL2
SCHEMBL6530994 0.86 S1PR1 (0.43) SLC13A5S1PR1S1PR3BCL2
SCHEMBL6528902 0.85 MMP3 (0.38) SLC13A5FFAR1BCL2
SCHEMBL6502428 0.83 FFAR1 (0.44) SLC13A5FFAR1PPARD
SCHEMBL6529918 0.82 SLC13A5 (0.45) SLC13A5NR1H4
SCHEMBL6527018 0.80 RARB (0.41) S1PR1S1PR3MAPT
SCHEMBL6530516 0.79 SLC13A5 (0.53) SLC13A5S1PR1S1PR3NR1H4ACACB
SCHEMBL6502451 0.77 S1PR1 (0.45) CTSAFFAR1S1PR1S1PR3MAPT
SCHEMBL6531951 0.77 GRM2 (0.41)

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