SCHEMBL28285446

SCHEMBL28285446

CC(C)(C)NC(=O)Oc1cccc(COc2ccc(C=O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
MAOB P27338 6/20 0.46
MAOA P21397 5/20 0.46
NPC1 O15118 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SPHK2 Q9NRA0 2/20 0.43
SPHK1 Q9NYA1 2/20 0.43
MRGPRX4 Q96LA9 3/20 0.42
FFAR1 O14842 1/20 0.42
GSK3B P49841 1/20 0.41
BACE1 P56817 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41

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
SCHEMBL28286820 0.87 ACHE (0.43) ALDH1A1
SCHEMBL28652467 0.80 RAB9A (0.55) RAB9AMAOBMAOANPC1TDP1
SCHEMBL28004942 0.80 POLB (0.49) RAB9AMAOBMAOANPC1TDP1
SCHEMBL28181770 0.79 KMT2A (0.49) KDM4EALDH1A1
SCHEMBL28769996 0.79 MAPT (0.58) RAB9AMAOBNPC1FFAR1SMN1; SMN2
SCHEMBL7987753 0.77 PPARA (0.48) FFAR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6687219 0.77 MAOB (0.66) RAB9AMAOBMAOANPC1TDP1
SCHEMBL27765570 0.77 TSHR (0.43) SMN1; SMN2
SCHEMBL8545870 0.76 RAB9A (0.71) RAB9AMAOBMAOANPC1TDP1
SCHEMBL20132198 0.76 SIRT2 (0.59) RAB9AMAOBMAOANPC1SMN1; 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-109476699-A Glucocorticoid receptor agonist and its immune conjugate 艾伯维公司 2019-03-15 CN disclosed