SCHEMBL20340323

SCHEMBL20340323

COc1ccc(C=CC(=O)c2ccccc2O)c(OC)c1OC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.71
AR P10275 1/20 0.71
ABCG2 Q9UNQ0 2/20 0.66
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.66
ALDH1A1 P00352 1/20 0.66
CHRNA7 P36544 2/20 0.64
ACHE P22303 1/20 0.62
NPC1 O15118 1/20 0.61
TP53 P04637 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CYP2D6 P10635 3/20 0.59
CYP1A1 P04798 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP1B1 Q16678 2/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
NR1H4 Q96RI1 1/20 0.59
BCHE P06276 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
SCHEMBL5084423 0.89 MAOB (0.80) MAOBARABCG2LMNAMAPT
SCHEMBL5084427 0.89 MAOB (0.80) MAOBARABCG2LMNAMAPT
SCHEMBL248598 0.89 MAOB (0.66) MAOBARABCG2LMNAMAPT
SCHEMBL29183307 0.88 MAPT (0.72) MAOBARABCG2LMNAMAPT
SCHEMBL20608552 0.86 MAOB (0.63) MAOBARABCG2LMNAMAPT
SCHEMBL8146116 0.86 ABCG2 (0.69) MAOBARABCG2LMNACHRNA7
SCHEMBL5159660 0.85 MAOB (0.62) MAOBARABCG2LMNAMAPT
SCHEMBL7100315 0.85 ABCG2 (0.64) MAOBARABCG2LMNAMAPT
SCHEMBL20608559 0.85 MAOB (0.62) MAOBARABCG2LMNAMAPT
SCHEMBL7196488 0.84 TUBB1 (0.64) MAOBARLMNAMAPTALDH1A1

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-3562803-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA Università degli Studi di Roma "La Sapienza" (IT) 2019-11-06 EP disclosed
WO-2018122689-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA UNIVERSITÀ DEGLI STUDI DI ROMA "LA SAPIENZA" (IT) 2018-07-05 WO disclosed