SCHEMBL6527335

SCHEMBL6527335

CC(=O)OCC(CCc1cccc(Br)c1)C(CC(N)=O)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.36
MAOB P27338 5/20 0.36
PARP15 Q460N3 2/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.34
MAOA P21397 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
SIRT2 Q8IXJ6 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
SCHEMBL6531947 0.88 DRD2 (0.37) TAAR1POLBMAPK1F2F10
SCHEMBL6528900 0.83 MMP12 (0.39) POLBMAPK1F2F10
SCHEMBL6528500 0.80 CTSA (0.39) F2F10
SCHEMBL6529916 0.79 CYP2D6 (0.39) MAPK1
SCHEMBL6502426 0.79 FFAR1 (0.42) F10
SCHEMBL6529689 0.79 LMNA (0.37)
SCHEMBL6527017 0.79 MMP12 (0.40)
SCHEMBL6530992 0.77 LMNA (0.40)
SCHEMBL6506648 0.75 PTPN11 (0.40) MAPK1
SCHEMBL6504727 0.74 S1PR1 (0.45)

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