SCHEMBL7714015

SCHEMBL7714015

CC(C)(C)OC(=O)N[C@H]1CCN(C(c2cccc(Cl)c2)c2cccc(OCc3ccccc3)c2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.41
CHRM3 P20309 5/20 0.40
XIAP P98170 1/20 0.40
PKM P14618 1/20 0.39
GHSR Q92847 1/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
SPHK1 Q9NYA1 2/20 0.39
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
YAP1 P46937 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSL P07711 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
SCHEMBL7714012 1.00 SLC6A5 (0.41) SLC6A5CHRM3XIAPPKMGHSR
SCHEMBL7714833 0.85 KDM4D (0.43)
SCHEMBL7714834 0.85 KDM4D (0.43)
SCHEMBL7714059 0.81 KDM4D (0.45)
SCHEMBL7714056 0.81 KDM4D (0.45)
SCHEMBL4557152 0.80 KCNA3 (0.43) KMT2AL3MBTL1
SCHEMBL7714189 0.79 KMT2A (0.46) KMT2AL3MBTL1
SCHEMBL7714192 0.79 KMT2A (0.46) KMT2AL3MBTL1
SCHEMBL7714010 0.74 SLC16A3 (0.40) XIAPKMT2AL3MBTL1S1PR1S1PR5
SCHEMBL5569337 0.74 MMP1 (0.54) KMT2AL3MBTL1YAP1

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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed