Phenetole

Phenetole

SCHEMBL28667149

CCOc1ccccc1.O=[N+]([O-])C1(Br)COCOC1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 2/20 0.46
KCNA1 Q09470 2/20 0.46
KCNAB1 Q14722 2/20 0.46
LTA4H P09960 1/20 0.45
MAPT P10636 6/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
AURKA O14965 1/20 0.37
PTGS2 P35354 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PKM P14618 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
Phenylethyl Alcohol SCHEMBL28667148 0.74 KCNA4 (0.47) KCNA4KCNA1KCNAB1MAPTNPC1
Phenetole SCHEMBL14954071 0.68 LTA4H (0.68) LTA4HMAPTNPC1RAB9ASMN1; SMN2
Phenetole SCHEMBL499918 0.68 LTA4H (0.81) LTA4HNPC1RAB9ASMN1; SMN2MAPK1
Phenetole SCHEMBL18492 0.68
Phenetole SCHEMBL10779391 0.68 LTA4H (0.81) LTA4HNPC1RAB9ASMN1; SMN2MAPK1
Phenetole SCHEMBL28191913 0.66 LTA4H (0.71) LTA4HMAPTNPC1RAB9ASMN1; SMN2
Phenetole SCHEMBL27639817 0.66 LTA4H (0.71) LTA4HMAPTNPC1RAB9ASMN1; SMN2
Phenetole SCHEMBL4014413 0.66 LTA4H (0.77) LTA4HMAPTNPC1RAB9ASMN1; SMN2
Phenetole SCHEMBL14954246 0.66 LTA4H (0.77) LTA4HMAPTNPC1RAB9ASMN1; SMN2
Phenetole SCHEMBL11569608 0.66 LTA4H (0.77) LTA4HMAPTNPC1RAB9ASMN1; SMN2

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-110785082-B Compositions and methods comprising triarylpolyamines 库扎环球有限责任公司 2021-12-28 CN disclosed