SCHEMBL9681043

SCHEMBL9681043

O=C(O)CC[N]c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
NR4A2 P43354 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
FFAR1 O14842 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 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
SCHEMBL1545178 0.79 HSD11B1 (0.42) MAPTKMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8413935 0.78 ALDH1A1 (0.53) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8029164 0.77 ALDH1A1 (0.50) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL2331407 0.74 NR4A2 (0.52) KEAP1NR4A2MAPTMEN1KMT2A
SCHEMBL1720891 0.73 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1CYP1A2
Azobenzene SCHEMBL32679252 0.73 MAPT (0.69) KEAP1NR4A2MAPTMEN1KMT2A
SCHEMBL7162802 0.71 NR4A2 (0.48) KEAP1NR4A2MAPTMEN1KMT2A
SCHEMBL10502034 0.70 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL8851294 0.70 KEAP1 (0.54) KEAP1NR4A2MAPTFFAR1HDAC3
SCHEMBL1720603 0.70 POLB (0.42) KEAP1MAPTSMN1; SMN2ALDH1A1CYP2D6

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
EP-0476760-A2 4-substituted isoxazole herbicides EASTMAN KODAK COMPANY (US) 1992-03-25 EP claimed
EP-0476761-A1 4-substituted isoxazoles EASTMAN KODAK COMPANY (US) 1992-03-25 EP disclosed