SCHEMBL5430864

SCHEMBL5430864

COC(=O)c1ccc(CN2CCN(CC(=O)[AsH]c3ccc(Oc4ccccc4)cc3)CCC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
FAAH O00519 2/20 0.47
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MCHR2 Q969V1 1/20 0.41
MCHR1 Q99705 1/20 0.41
GAA P10253 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL5310997 0.85 LTA4H (0.67) LTA4HFAAHALDH1A1MEN1KMT2A
SCHEMBL3040049 0.77 LTA4H (0.65) LTA4HFAAHALDH1A1MEN1KMT2A
SCHEMBL3038141 0.77 LTA4H (0.65) LTA4HFAAHALDH1A1MEN1KMT2A
SCHEMBL5471639 0.76 LTA4H (0.81) LTA4HALDH1A1MEN1KMT2ALMNA
SCHEMBL5314382 0.75 LTA4H (0.82) LTA4HFAAHALDH1A1MEN1KMT2A
SCHEMBL3026400 0.75 CHKA (0.65) LTA4HFAAHALDH1A1MEN1KMT2A
SCHEMBL5310987 0.72 LTA4H (0.83) LTA4HFAAHALDH1A1MEN1KMT2A
SCHEMBL22042582 0.71 RAB9A (0.57) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL1256116 0.71 L3MBTL1 (0.57) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6159348 0.69 HCRTR1 (0.53) LTA4HFAAHALDH1A1MEN1KMT2A

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-2007079003-A2 AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed