SCHEMBL11501050

SCHEMBL11501050

CCOC(=O)c1ccc(N)cc1CC=CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAOA P21397 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 5/20 0.46
GAA P10253 5/20 0.46
HSD17B10 Q99714 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44

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
SCHEMBL11784914 0.85 LMNA (0.56) LMNAMAOACYP1A2CYP3A4ALDH1A1
SCHEMBL10082826 0.82 LMNA (0.53) LMNAMAOACYP1A2CYP3A4ALDH1A1
SCHEMBL14465366 0.81 LMNA (0.51) LMNAMAOACYP1A2CYP3A4ALDH1A1
SCHEMBL8191128 0.81 LMNA (0.51) LMNAMAOACYP1A2CYP3A4ALDH1A1
SCHEMBL8117430 0.80 CYP4F2 (0.48) LMNAMAOACYP1A2CYP3A4ALDH1A1
SCHEMBL5347354 0.80 PTGER4 (0.46) LMNACYP3A4ALDH1A1GAAHSD17B10
SCHEMBL5347356 0.80 PTGER4 (0.46) LMNACYP3A4ALDH1A1GAAHSD17B10
SCHEMBL15835741 0.79 LMNA (0.50) LMNAMAOACYP1A2CYP3A4ALDH1A1
SCHEMBL11499774 0.79 ALDH1A1 (0.50) LMNACYP1A2CYP3A4ALDH1A1GAA
SCHEMBL9307300 0.78 LMNA (0.49) LMNAMAOACYP1A2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4187186-A WEAR, OXIDATION AND CORROSION RESISTANT MOBIL OIL CORPORATION (US) 1980-02-05 US disclosed