SCHEMBL10077370

SCHEMBL10077370

CC(C)(C)/N=C/c1cccc(C(=O)CN(CCCCCCOCCCCc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.35
▸ BCHE P06276 3/20 0.35
▸ ACHE P22303 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ UNG P13051 1/20 0.34
▸ MAOA P21397 1/20 0.34

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
SCHEMBL10077369 0.75 CDK1 (0.42) MAOBBCHEACHE
SCHEMBL10477760 0.75 MEN1 (0.47) MAOBBCHEACHE
SCHEMBL10076826 0.74 MAOB (0.43) MAOB
SCHEMBL10477860 0.73 KDM4E (0.41) MAOBBCHEACHE
SCHEMBL9574173 0.72 MAOB (0.43) MAOBBCHEACHE
SCHEMBL456296 0.72 FOLH1 (0.43) MAOBL3MBTL1
SCHEMBL10592068 0.72 MAOB (0.40) MAOBBCHEACHEPPARG
SCHEMBL9668333 0.72 MAOB (0.42) MAOBBCHEACHEPPARGPPARA
SCHEMBL10462952 0.71 MAOB (0.41) MAOBACHE
SCHEMBL469526 0.69 THRA (0.48) BCHEACHE

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-2012032546-A2 PROCESS FOR THE PREPARATION OF SALMETEROL AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2012-03-15 — — WO disclosed
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