SCHEMBL10844236

SCHEMBL10844236

CCCCCCCCCCCCCCCCCC(=O)NC(CCN)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.60
ALDH1A1 P00352 1/20 0.60
ACER2 Q5QJU3 1/20 0.60
CERT1 Q9Y5P4 3/20 0.55
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
UGCG Q16739 1/20 0.50

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
SCHEMBL9716121 0.89 ASAH1 (0.63) ASAH1ALDH1A1ACER2CERT1CYP1A2
SCHEMBL9848504 0.89 ASAH1 (0.63) ASAH1ALDH1A1ACER2CERT1CYP1A2
SCHEMBL28217435 0.86 ASAH1 (0.66) ASAH1ALDH1A1ACER2CERT1CYP1A2
SCHEMBL7769012 0.85 ASAH1 (0.68) ASAH1ALDH1A1ACER2CERT1
SCHEMBL6570067 0.85 ASAH1 (0.68) ASAH1ALDH1A1ACER2CERT1
SCHEMBL8338663 0.85 ASAH1 (0.68) ASAH1ALDH1A1ACER2CERT1
SCHEMBL7769010 0.85 ASAH1 (0.68) ASAH1ALDH1A1ACER2CERT1
SCHEMBL12561310 0.83 CHRNB2 (0.48) ASAH1ALDH1A1ACER2CYP1A2CYP2D6
SCHEMBL27758299 0.82 ASAH1 (0.60) ASAH1ALDH1A1ACER2CERT1SMN1; SMN2
SCHEMBL9716137 0.81 ASAH1 (0.61) ASAH1ALDH1A1ACER2CERT1CYP1A2

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-4581149-A FRICTION REDUCING AGENTS MOBIL OIL CORPORATION (US) 1986-04-08 US disclosed
US-4581150-A FUEL ADDITIVES MOBIL OIL CORPORATION (US) 1986-04-08 US disclosed
US-4536309-A FRICTION REDUCING OIL OR FUEL ADDITRIVES MOBIL OIL CORPORATION (US) 1985-08-20 US disclosed