SCHEMBL10812401

SCHEMBL10812401

CCCCC(CC)C(CCC)NN

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
DNM1 Q05193 2/20 0.31
MAPK1 P28482 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL5496711 0.73 ALDH1A1 (0.42) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL28023562 0.73 ALDH1A1 (0.38) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL11817761 0.72 ALDH1A1 (0.46) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL28255157 0.71 ALDH1A1 (0.37) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL20963004 0.71 ALDH1A1 (0.40) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL20970822 0.71 ALDH1A1 (0.40) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL11818913 0.70 ALDH1A1 (0.43) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL22057176 0.70 AOC3 (0.42) AOC3
SCHEMBL8293096 0.70 ALDH1A1 (0.41) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL27888626 0.69 ALDH1A1 (0.44) CA2CA1ALDH1A1TDP1TSHR

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-4663063-A OIL AND FUEL ADDITIVES THE LUBRIZOL CORPORATION (US) 1987-05-05 US disclosed
EP-0203969-A1 ALKYL PHENOL AND AMINO COMPOUND COMPOSITIONS AND TWO-CYCLE ENGINE OILS AND FUELS CONTAINING SAME. LUBRIZOL CORP (US) 1986-12-10 EP disclosed
WO-1986003220-A1 ALKYL PHENOL AND AMINO COMPOUND COMPOSITIONS AND TWO-CYCLE ENGINE OILS AND FUELS CONTAINING SAME THE LUBRIZOL CORPORATION (US) 1986-06-05 WO disclosed