SCHEMBL28581122

SCHEMBL28581122

CCCCON=C(C)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
LMNA P02545 2/20 0.65
MAPK1 P28482 1/20 0.65
HTT P42858 1/20 0.65
PPARA Q07869 13/20 0.60
PPARG P37231 12/20 0.54
ESR1 P03372 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 1/20 0.47
PTBP1 P26599 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL22952897 0.89 LMNA (0.69) L3MBTL1LMNAMAPK1HTTPPARA
SCHEMBL8825267 0.86 L3MBTL1 (0.65) L3MBTL1LMNAMAPK1HTTPPARA
SCHEMBL14277943 0.84 PPARA (0.56) L3MBTL1LMNAMAPK1HTTPPARA
SCHEMBL14277935 0.83 PPARA (0.59) L3MBTL1LMNAMAPK1HTTPPARA
SCHEMBL14277939 0.83 ESR1 (0.53) L3MBTL1LMNAMAPK1HTTPPARA
SCHEMBL4476864 0.81 LMNA (0.69) L3MBTL1LMNAMAPK1HTTPPARA
SCHEMBL4476867 0.81 LMNA (0.69) L3MBTL1LMNAMAPK1HTTPPARA
SCHEMBL14277950 0.81 L3MBTL1 (0.57) L3MBTL1LMNAHTTESR1SMN1; SMN2
SCHEMBL23635710 0.81 LMNA (0.74) L3MBTL1LMNAMAPK1HTTPPARA
SCHEMBL2736632 0.81 LMNA (0.74) L3MBTL1LMNAMAPK1HTTPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354557-B Preparation method and application of 3-phenyl-2-propylene-1-one O-n-butyl oxime 大连理工大学 2022-06-28 CN disclosed
CN-113354557-A Preparation method and application of 3-phenyl-2-propylene-1-one O-n-butyl oxime 大连理工大学 2021-09-07 CN disclosed
CN-113004169-A Preparation method of 1, 3-diphenyl-2-butene-1-one O-n-butyl oxime 大连理工大学 2021-06-22 CN disclosed