SCHEMBL28038050

SCHEMBL28038050

CCCOC(C)(CNC(C)=O)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TTR P02766 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SLCO1B3 Q9NPD5 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CISD1 Q9NZ45 1/20 0.40
▸ SLCO1B1 Q9Y6L6 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL28038039 0.90 KMT2A (0.43) SMN1; SMN2TDP1CD274HTTMEN1
SCHEMBL28084206 0.83 MEN1 (0.39) PPARASMN1; SMN2CYP2C9TSHRTTR
SCHEMBL28038046 0.82 ALDH1A1 (0.43) PPARASMN1; SMN2CYP2C9TSHRTTR
SCHEMBL27940394 0.75 CYP2C9 (0.43) PPARASMN1; SMN2CYP2C9TSHRTTR
SCHEMBL27434536 0.74 CYP2C9 (0.52) PPARASMN1; SMN2CYP2C9TSHRTTR
SCHEMBL28084205 0.74 CYP2C9 (0.47) PPARASMN1; SMN2CYP2C9TSHRTTR
SCHEMBL12894351 0.74 SMN1; SMN2 (0.46) PPARASMN1; SMN2CYP2C9TSHRTTR
SCHEMBL18241048 0.74 CYP2C9 (0.54) PPARASMN1; SMN2CYP2C9TSHRTTR
SCHEMBL27437488 0.73 SMN1; SMN2 (0.46) PPARASMN1; SMN2CYP2C9TSHRTTR
SCHEMBL28038047 0.73 CYP2C9 (0.40) PPARASMN1; SMN2CYP2C9TSHRTTR

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-103641731-B The manufacture method of phenylacetyl amine compound SUMITOMO CHEMICAL CO., LTD. (JP) 2015-10-28 — — CN disclosed
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