SCHEMBL6527581

SCHEMBL6527581

CCCCOc1c(C)cc(-c2ccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)cc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.36
RARB P10826 1/20 0.34
LMNA P02545 1/20 0.33
P2RY10 O00398 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
ABCB1 P08183 1/20 0.30
REN P00797 1/20 0.30
LTA4H P09960 1/20 0.30

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
SCHEMBL6499997 0.87 LMNA (0.36) MMP12LMNAP2RY10
SCHEMBL6529141 0.86 RARB (0.38) MMP12RARBLMNAS1PR1
SCHEMBL6530514 0.85 FDFT1 (0.41) MMP12LMNA
SCHEMBL6504727 0.85 S1PR1 (0.45) MMP12RARBS1PR2S1PR1
SCHEMBL6529532 0.84 S1PR1 (0.44) MMP12RARBS1PR2S1PR1LTA4H
SCHEMBL6530119 0.84 S1PR1 (0.44) MMP12LMNAS1PR1
SCHEMBL6530174 0.83 LMNA (0.39) RARBLMNAP2RY10S1PR2S1PR1
SCHEMBL6529689 0.82 LMNA (0.37) MMP12RARBLMNAP2RY10
SCHEMBL6528235 0.82 S1PR1 (0.46) RARBLMNAS1PR1
SCHEMBL6529753 0.81 PPARG (0.34) RARBLMNA

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