SCHEMBL28612693

SCHEMBL28612693

CC(=O)Nc1ccc(OCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
RXRA P19793 5/20 0.66
RXRB P28702 5/20 0.66
RAB9A P51151 5/20 0.66
NPC1 O15118 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
POLB P06746 2/20 0.66
NR4A2 P43354 4/20 0.62
NR4A1 P22736 1/20 0.62
NR4A3 Q92570 1/20 0.62
GAA P10253 1/20 0.59
PLA2G4B P0C869 1/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SRD5A2 P31213 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL28615347 0.87 KMT2A (0.67) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL2750411 0.86 SMN1; SMN2 (0.75) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL31530135 0.86 MEN1 (0.66) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL10599882 0.85 MEN1 (0.70) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8134318 0.84 NR4A2 (0.85) RXRARXRBRAB9ANPC1SMN1; SMN2
SCHEMBL10599783 0.84 MEN1 (0.66) MEN1KMT2ARXRARXRBRAB9A
SCHEMBL10597979 0.84 KMT2A (0.66) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6304948 0.81 MEN1 (0.59) MEN1KMT2ARAB9ASMN1; SMN2POLB
SCHEMBL29848240 0.81 TSHR (0.65) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8009584 0.81 MEN1 (0.63) MEN1KMT2ARAB9ANPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248398-B Hapten, artificial antigen and antibody for detecting phenacetin, and preparation method and application thereof 华南农业大学 2022-08-16 CN disclosed
CN-113248398-A Hapten, artificial antigen and antibody for detecting phenacetin, and preparation method and application thereof 华南农业大学 2021-08-13 CN disclosed