SCHEMBL6506648

SCHEMBL6506648

CCCCCOc1ccc(-c2cccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)c2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.40
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR1 P21453 1/20 0.35
ATM Q13315 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
BACE1 P56817 1/20 0.33
MAPT P10636 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL6530119 0.90 S1PR1 (0.44) PTPN11GLASMN1; SMN2S1PR1ATM
SCHEMBL6530992 0.88 LMNA (0.40) PTPN11
SCHEMBL6529689 0.87 LMNA (0.37) PTPN11
SCHEMBL6529916 0.85 CYP2D6 (0.39) PTPN11MAPK1
SCHEMBL6527017 0.85 MMP12 (0.40) S1PR1MAPTALDH1A1
SCHEMBL6532172 0.82 LTA4H (0.42) PTPN11THRATHRBPDE4APDE4B
SCHEMBL6528900 0.81 MMP12 (0.39) MAPK1
SCHEMBL6530514 0.81 FDFT1 (0.41)
SCHEMBL6529532 0.80 S1PR1 (0.44) PTPN11S1PR1THRATHRBPDE4A
SCHEMBL6502426 0.80 FFAR1 (0.42)

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