SCHEMBL4184777

SCHEMBL4184777

COC(=O)c1cc(C#Cc2ccccc2OC)ccc1OC(C)C.COC(=O)c1cc(I)ccc1OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
PTGES O14684 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
BRPF1 P55201 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
GCK P35557 1/20 0.37
MAPT P10636 4/20 0.37
HSD17B10 Q99714 3/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
AR P10275 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSP90AA1 P07900 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL4011695 0.93 FFAR1 (0.47) FFAR1PTGESMEN1KMT2AL3MBTL1
SCHEMBL4019340 0.83 FFAR1 (0.51) FFAR1PTGESMEN1KMT2AL3MBTL1
SCHEMBL13945493 0.82 FFAR1 (0.46) FFAR1PTGESMEN1KMT2AL3MBTL1
SCHEMBL13957725 0.82 IRAK4 (0.56) FFAR1PTGESMEN1KMT2AL3MBTL1
SCHEMBL4041321 0.81 PTPN11 (0.47) FFAR1PTGESL3MBTL1IRAK4HSD17B10
SCHEMBL4799015 0.81 LMNA (0.35) KMT2ABRPF1IRAK4MAPTMAPK1
SCHEMBL4020950 0.81 IRAK4 (0.42) KMT2AIRAK4MAPTMAPK1ALDH1A1
SCHEMBL4634208 0.73 LMNA (0.39) MEN1KMT2AIRAK4MAPTGAA
SCHEMBL30393778 0.73 KDM4E (0.49) KMT2AMAPTHSD17B10GAAMAPK1
SCHEMBL412460 0.73 KDM4E (0.49) KMT2AMAPTHSD17B10GAAMAPK1

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-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed