SCHEMBL8938889

SCHEMBL8938889

COc1ccc(C2CCc3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
GRIN2D O15399 4/20 0.47
GRIN3B O60391 4/20 0.47
GRIN1 Q05586 4/20 0.47
GRIN2A Q12879 4/20 0.47
GRIN2B Q13224 4/20 0.47
GRIN2C Q14957 4/20 0.47
GRIN3A Q8TCU5 4/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL13464652 0.79 DDB1 (0.44) KDM1AMAOAMAOBDDB1CRBN
SCHEMBL1144004 0.79 PDE1B (0.47) KDM1AMAOAMAOBDDB1CRBN
SCHEMBL7850864 0.76 KMT2A (0.76) KMT2ALMNAMEN1KDM1AMAOA
SCHEMBL5709325 0.76 CA1 (0.54) KDM1AMAOAMAOB
SCHEMBL28596328 0.75 GID4 (0.59) KDM1AMAOAMAOB
SCHEMBL8938857 0.73 CYP19A1 (0.46) KMT2A
SCHEMBL24724677 0.73 MEN1 (0.56) KMT2ALMNAMEN1TP53SMN1; SMN2
SCHEMBL10748260 0.73 DRD1 (0.57) KMT2ACYP3A4KDM1A
SCHEMBL225602 0.73 ACHE (0.52) KMT2ALMNAMEN1CYP3A4MAOB
SCHEMBL11749061 0.72 MEN1 (0.53) KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543298-A ADDING SPECIFIED COMPOUND TO LIQUID SAMPLE, MEASURING RATE OF AUTOOXIDATION SPECTROPHOTOMETRICALLY OXIS INTERNATIONAL S.A. (FR) 1996-08-06 US disclosed
EP-0625209-B1 METHOD FOR ASSAYING THE SOD ACTIVITY BY USING A SELF- OXIDIZABLE COMPOUND NECESSARY FOR ITS IMPLEMENTATION, SELF- OXIDIZABLE COMPOUNDS AND PREPARATION THEREOF OXIS INT SA (FR) 1996-07-17 EP disclosed
WO-1993011258-A1 METHOD FOR ASSAYING THE SOD ACTIVITY BY USING A SELF-OXIDIZABLE COMPOUND NECESSARY FOR ITS IMPLEMENTATION, SELF-OXIDIZABLE COMPOUNDS AND PREPARATION THEREOF BIOXYTECH (FR) 1993-06-10 WO disclosed