SCHEMBL6499997

SCHEMBL6499997

CCCCOc1cc(C)c(-c2ccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)cc2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
FFAR1 O14842 4/20 0.35
MMP12 P39900 1/20 0.33
PTGES O14684 3/20 0.33
ALOX5 P09917 3/20 0.33
PPARG P37231 3/20 0.33
P2RY10 O00398 1/20 0.33
ACACB O00763 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL6530174 0.97 LMNA (0.39) LMNAP2RY10
SCHEMBL6529141 0.90 RARB (0.38) LMNAFFAR1MMP12PTGESALOX5
SCHEMBL6527581 0.87 MMP12 (0.36) LMNAMMP12P2RY10
SCHEMBL6530514 0.86 FDFT1 (0.41) LMNAMMP12PTGESALOX5PPARG
SCHEMBL6528235 0.84 S1PR1 (0.46) LMNAFFAR1PTGESALOX5PPARG
SCHEMBL6530119 0.83 S1PR1 (0.44) LMNAMMP12PPARGACACB
SCHEMBL6529689 0.83 LMNA (0.37) LMNAFFAR1MMP12PTGESALOX5
SCHEMBL6504727 0.82 S1PR1 (0.45) MMP12
SCHEMBL6529005 0.82 PTPN11 (0.40) LMNAP2RY10
SCHEMBL6529532 0.82 S1PR1 (0.44) FFAR1MMP12PTGESALOX5PPARG

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