SCHEMBL8026308

SCHEMBL8026308

CCN(CC)CCN(CCN(CCN(CC)CC)Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.55
AOC3 Q16853 2/20 0.54
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MEN1 O00255 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8321067 0.79 POLB (0.47) PTGS2AOC3MEN1KMT2AMAPK1
SCHEMBL3641441 0.79 HTR2A (0.59) PTGS2AOC3HTR2AHTR2CHTR2B
SCHEMBL12933661 0.78 PTGS2 (0.59) PTGS2AOC3HTR2AHTR2CHTR2B
SCHEMBL7447368 0.77 ACHE (0.46) PTGS2AOC3CYP3A4CYP2D6THPO
SCHEMBL6670969 0.77 KDM4E (0.45) PTGS2AOC3MEN1KMT2AALDH1A1
SCHEMBL8326095 0.76 KDM4E (0.44) PTGS2AOC3MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7645327 0.76 KDM4E (0.44) PTGS2AOC3MEN1PMP22KMT2A
SCHEMBL6716017 0.76 L3MBTL1 (0.45) PTGS2AOC3MEN1KMT2AALDH1A1
SCHEMBL16884174 0.76 CYP3A4 (0.45) PTGS2AOC3CYP3A4CYP2D6THPO
SCHEMBL7338634 0.75 AOC3 (0.62) PTGS2AOC3CYP3A4HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816324-B1 Subsituted benzyl derivatives of polyalkylene-polyamines and their use in cosmetic and pharmaceutical compositions OREAL (FR) 2000-02-16 EP claimed
EP-0816324-A1 Subsituted benzyl derivatives of polyalkylene-polyamines and their use in cosmetic and pharmaceutical compositions L'OREAL (FR) 1998-01-07 EP claimed
EP-0816324-B1 Subsituted benzyl derivatives of polyalkylene-polyamines and their use in cosmetic and pharmaceutical compositions OREAL (FR) 2000-02-16 EP disclosed
US-5910513-A PROTECTING THE BODY AGAINST OXIDATIVE STRESS SUCH AS NEURODEGENERATIVE DISEASES, PARKINSON'S DISEASE, CHRONIC INFLAMMATORY CONDITIONS, REINFUSION ISCHAEMIA SYNDROME, THE TOXICITY OF CERTAIN DRUGS SUCH AS CERTAIN XENOBIOTICS L'OREAL (FR) 1999-06-08 US disclosed
EP-0816324-A1 Subsituted benzyl derivatives of polyalkylene-polyamines and their use in cosmetic and pharmaceutical compositions L'OREAL (FR) 1998-01-07 EP disclosed