SCHEMBL8938855

SCHEMBL8938855

COc1ccc2c(c1)CCC1=C2c2cc(OC)c(OC)cc2CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 3/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
MPO P05164 1/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTAFR P25105 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL8938825 0.93 ALDH1A1 (0.44) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL17108416 0.77 MPO (0.59) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL30897586 0.72 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1SMN1; SMN2CYP1A2
SCHEMBL1978237 0.72 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1SMN1; SMN2CYP1A2
SCHEMBL3141978 0.72 MPO (0.54) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL25034013 0.72 KDM4E (0.42) ALDH1A1LMNAMAPTKDM4ECYP3A4
SCHEMBL30274243 0.72 KDM4E (0.42) ALDH1A1LMNAMAPTKDM4ECYP3A4
SCHEMBL16313341 0.71 KDM4E (0.54) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL30529912 0.70 PTGS2 (0.55) ALDH1A1LMNAMAPTCYP1A2CYP2D6
SCHEMBL15869785 0.69 MPO (0.51) ALDH1A1MAPTMAPK1SMN1; SMN2CYP1A2

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