SCHEMBL27550293

SCHEMBL27550293

CCCOC=CC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
AKT1 P31749 2/20 0.51
MAPT P10636 6/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
KMT2A Q03164 3/20 0.48
RECQL P46063 2/20 0.47
BCHE P06276 4/20 0.46
MAOB P27338 2/20 0.46
ACHE P22303 2/20 0.46
PLIN1 O60240 2/20 0.46
PLIN5 Q00G26 2/20 0.46
ABHD5 Q8WTS1 2/20 0.46
TNFRSF1A P19438 1/20 0.46
CYP1B1 Q16678 1/20 0.46
PKM P14618 1/20 0.44
MAOA P21397 1/20 0.44
CYP3A4 P08684 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44

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
SCHEMBL10275631 0.86 AKT1 (0.54) LMNAAKT1MAPTRAB9ANPC1
SCHEMBL10439177 0.86 AKT1 (0.54) LMNAAKT1MAPTRAB9ANPC1
SCHEMBL10275628 0.86 AKT1 (0.54) LMNAAKT1MAPTRAB9ANPC1
SCHEMBL27342596 0.82 LMNA (0.55) LMNAAKT1MAPTRAB9ANPC1
SCHEMBL861969 0.79 ATG4B (0.50) RECQLCYP1A2TDP1
SCHEMBL861970 0.79 ATG4B (0.50) RECQLCYP1A2TDP1
SCHEMBL861971 0.79 ATG4B (0.50) RECQLCYP1A2TDP1
SCHEMBL12587226 0.78 MAOB (0.52) LMNAMAPTRAB9ANPC1KMT2A
SCHEMBL9751081 0.78 LMNA (0.59) LMNAAKT1MAPTRAB9ANPC1
SCHEMBL12587160 0.77 BCHE (0.57) LMNAMAPTRAB9ANPC1KMT2A

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-1274655-C Novel 3-aryl-2,5-dihydroxy-1,4-benzoquinone derivatives, their preparation method and pharmaceutical compositions containing same SERVIER LAB (FR) 2006-09-13 CN disclosed
CN-1628088-A Novel 3-aryl-2, 5-dihydroxy-1, 4-benzoquinones, process for preparing same and pharmaceutical compositions containing same SERVIER LAB (FR) 2005-06-15 CN disclosed