SCHEMBL28038448

SCHEMBL28038448

CCCCOC(CC)(CNC(C)=O)c1ccccc1COc1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SENP2 Q9HC62 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAOA P21397 1/20 0.35

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
SCHEMBL28084206 0.91 MEN1 (0.39) MEN1KMT2APPARGPPARAPTGDR2
SCHEMBL28084209 0.83 KMT2A (0.41) MEN1KMT2APTGESALOX5PPARG
SCHEMBL28038039 0.81 KMT2A (0.43) MEN1KMT2APTGDR2FFAR1FFAR4
SCHEMBL28084203 0.75 ALDH1A1 (0.43) MEN1KMT2APPARGPPARAPTGDR2
SCHEMBL28038050 0.72 PPARA (0.40) MEN1KMT2APPARGPPARAPTGDR2
SCHEMBL28038035 0.68 FFAR4 (0.41) MEN1KMT2APTGDR2FFAR1FFAR4
SCHEMBL28038037 0.68 FFAR1 (0.39) MEN1KMT2APTGDR2FFAR1FFAR4
SCHEMBL29787367 0.67 FFAR1 (0.44) MEN1KMT2APTGDR2FFAR1FFAR4
SCHEMBL9025882 0.67 FFAR1 (0.44) MEN1KMT2APTGDR2FFAR1FFAR4
SCHEMBL16437111 0.67 TSHR (0.53) MEN1KMT2AL3MBTL1

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
CN-103588657-B The manufacture method of phenylacetyl amines 住友化学株式会社 2016-06-22 — — CN disclosed
CN-103641731-B The manufacture method of phenylacetyl amine compound SUMITOMO CHEMICAL CO., LTD. (JP) 2015-10-28 — — CN disclosed
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