SCHEMBL15079923

SCHEMBL15079923

O=NC(=O)c1ccc(OCC2(c3ccccc3O)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
PARP10 Q53GL7 2/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
GAA P10253 1/20 0.33
FAAH O00519 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL15079790 0.85 PKM (0.51) PKMNR4A1NR4A2NR4A3CYP26A1
SCHEMBL15079771 0.80 TDP1 (0.47) NPC1GAAMAPTRAB9ACYP3A4
SCHEMBL15079886 0.77 LMNA (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15079895 0.77 ATF4 (0.40) NPC1MAPTRAB9A
SCHEMBL15079366 0.77 KDM4E (0.44) NPC1PARP10GAAMAPTRAB9A
SCHEMBL15079880 0.77 LTA4H (0.43) MAOB
SCHEMBL15079775 0.75 MAPT (0.39) NPC1MAPTRAB9A
SCHEMBL15079779 0.75 MAOB (0.44) MAOBMAPTCYP3A4
SCHEMBL15079426 0.74 CYP26A1 (0.34) HDAC6GAAMAOBMAPTCYP26A1
SCHEMBL15079756 0.74 KMT2A (0.39) NPC1GAAMAPTRAB9A

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
WO-2013093320-A1 NOVEL ANTI-AGING AND DEPIGMENTING COSMETIC COMPOSITIONS DIVERCHIM (FR) 2013-06-27 WO disclosed