SCHEMBL5045301

SCHEMBL5045301

N#Cc1cccc(C[CH]c2ccc(-c3cccc(C(=O)NCCc4ccc(Oc5ccccc5)cc4)c3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ABCB1 P08183 1/20 0.46
HPGD P15428 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
RAB9A P51151 4/20 0.44
PARP1 P09874 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AKR1C3 P42330 2/20 0.43
ROCK2 O75116 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL1854548 0.83 GAA (0.45) GAAABCB1HPGDABCG2PTGDR2
SCHEMBL5046285 0.81 GPR139 (0.46) CHRM3ALDH1A1
SCHEMBL5047546 0.75 NPC1 (0.50) GAAHPGDRAB9ANPC1MAPT
SCHEMBL6022596 0.72 F10 (0.49) HPGDRAB9AROCK2NPC1KDM4E
SCHEMBL1856432 0.72 F10 (0.47) GAAHPGDRAB9AMEN1KMT2A
SCHEMBL5044266 0.71 LTA4H (0.48) PTGDR2RAB9AMEN1KMT2AAKR1C3
SCHEMBL2773614 0.71 MMP12 (0.60) GAAABCB1HPGDABCG2HDAC8
SCHEMBL5048825 0.69 NAMPT (0.50) GAAROCK2HDAC3MAPTSMN1; SMN2
SCHEMBL5943847 0.69 HDAC8 (0.78) HPGDRAB9APARP1MEN1KMT2A
SCHEMBL5047823 0.69 GAA (0.46) GAARAB9AROCK2NPC1MAPT

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed