SCHEMBL28084209

SCHEMBL28084209

CCCCOC(CC)(CCC(N)=O)c1ccccc1COc1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ FFAR1 O14842 2/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.37
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ OPRK1 P41145 1/20 0.36

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
SCHEMBL28084203 0.91 ALDH1A1 (0.43) KMT2AMEN1FFAR1FFAR4TDP1
SCHEMBL28038448 0.83 MEN1 (0.42) KMT2AMEN1FFAR1FFAR4TDP1
SCHEMBL28038035 0.81 FFAR4 (0.41) KMT2AMEN1FFAR1FFAR4TDP1
SCHEMBL28084206 0.74 MEN1 (0.39) KMT2AMEN1TDP1PPARGPPARA
SCHEMBL28038046 0.73 ALDH1A1 (0.43) KMT2AMEN1FFAR1FFAR4TDP1
SCHEMBL8290730 0.70 MEN1 (0.57) KMT2AMEN1TDP1MAPTLMNA
SCHEMBL28038039 0.67 KMT2A (0.43) KMT2AMEN1FFAR1FFAR4TDP1
SCHEMBL28084226 0.67 CDK4 (0.46) KMT2AMEN1FFAR1FFAR4TDP1
SCHEMBL17328307 0.67 RXRA (0.49) KMT2AMEN1FFAR1FFAR4RECQL
SCHEMBL12894353 0.66 CDK4 (0.44) KMT2AMEN1FFAR1FFAR4TDP1

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
CN-103588657-B The manufacture method of phenylacetyl amines 住友化学株式会社 2016-06-22 — — CN disclosed
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