SCHEMBL6154566

SCHEMBL6154566

COC(=O)C(C)(C)CC(=O)c1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
PBRM1 Q86U86 1/20 0.44
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PTGS1 P23219 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
ACHE P22303 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
SRC P12931 1/20 0.38
PRSS1 P07477 2/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL6154661 0.82 PBRM1 (0.50) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL3260498 0.81 PBRM1 (0.49) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL380738 0.80 SRC (0.53) ALDH1A1KDM4ENPC1LMNAPOLB
SCHEMBL10952369 0.78 ALDH1A1 (0.53) ALDH1A1NPC1LMNAPOLBPTGS1
SCHEMBL1067890 0.78 PTPRB (0.41) ADRB2ADRB1ADRB3ALDH1A1LOXL2
SCHEMBL6154138 0.78 ADRB2 (0.45) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL16871506 0.78 ALDH1A1 (0.49) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL6153752 0.77 KMT2A (0.54) ADRB2ADRB1ADRB3ALDH1A1NPC1
SCHEMBL595610 0.77 GAA (0.43) ADRB2ADRB1ADRB3ALDH1A1KDM4E
SCHEMBL28359889 0.76 PBRM1 (0.59) ADRB2ADRB1ADRB3ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499603-A1 ANTIVIRAL LACTONE-UREAS Bayer Aktiengesellschaft (DE) 2005-01-26 EP disclosed
WO-2003089421-A1 ANTIVIRAL LACTONE-UREAS BAYER HEALTHCARE AG (DE) 2003-10-30 WO disclosed