SCHEMBL6529353

SCHEMBL6529353

CCCCCC(O)c1ccc(-c2ccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)cc2)s1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.34
S1PR1 P21453 2/20 0.34
MMP12 P39900 1/20 0.33
TRPV1 Q8NER1 1/20 0.31
LTA4H P09960 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR3 Q99500 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
SCHEMBL6504727 0.83 S1PR1 (0.45) S1PR2S1PR1MMP12S1PR4S1PR3
SCHEMBL6527017 0.79 MMP12 (0.40) S1PR2S1PR1MMP12S1PR4S1PR3
SCHEMBL6530514 0.77 FDFT1 (0.41) MMP12
SCHEMBL6529355 0.76 S1PR1 (0.35) S1PR2S1PR1S1PR4S1PR3
SCHEMBL6527581 0.76 MMP12 (0.36) S1PR2S1PR1MMP12LTA4H
SCHEMBL6530174 0.75 LMNA (0.39) S1PR2S1PR1S1PR4S1PR3
SCHEMBL6529512 0.75 MMP12 (0.40) MMP12
SCHEMBL6532172 0.75 LTA4H (0.42) LTA4H
SCHEMBL6530992 0.74 LMNA (0.40) MMP12
SCHEMBL6530119 0.74 S1PR1 (0.44) S1PR1MMP12

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