SCHEMBL28084206

SCHEMBL28084206

CCCCOC(CC)(CNC(C)=O)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ TTR P02766 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ SLCO1B3 Q9NPD5 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CISD1 Q9NZ45 1/20 0.38
▸ SLCO1B1 Q9Y6L6 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL28038448 0.91 MEN1 (0.42) MEN1KMT2APPARAPPARGTDP1
SCHEMBL28084203 0.83 ALDH1A1 (0.43) MEN1ALDH1A1KMT2ATSHRPPARA
SCHEMBL28038050 0.83 PPARA (0.40) MEN1ALDH1A1KMT2ATSHRCD274
SCHEMBL28084209 0.74 KMT2A (0.41) MEN1KMT2ACD274PPARAPPARG
SCHEMBL28038039 0.72 KMT2A (0.43) MEN1ALDH1A1KMT2ACD274SMN1; SMN2
SCHEMBL27434536 0.71 CYP2C9 (0.52) MEN1ALDH1A1KMT2ATSHRPPARA
SCHEMBL17715753 0.70 SMN1; SMN2 (0.44) MEN1ALDH1A1KMT2ATSHRPPARA
SCHEMBL28038047 0.70 CYP2C9 (0.40) MEN1ALDH1A1KMT2ATSHRPPARA
SCHEMBL28084205 0.69 CYP2C9 (0.47) MEN1ALDH1A1KMT2ATSHRPPARA
SCHEMBL18241048 0.69 CYP2C9 (0.54) MEN1ALDH1A1KMT2ATSHRPPARA

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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