SCHEMBL11315413

SCHEMBL11315413

CCCCOCCC(=O)Nc1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
GAA P10253 2/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDE4D Q08499 1/20 0.48
CNR1 P21554 2/20 0.47
ALDH1A1 P00352 3/20 0.47
CNR2 P34972 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL9078628 0.85 ALDH1A1 (0.58) L3MBTL1GAATP53SMN1; SMN2CYP1A2
SCHEMBL10360235 0.84 CA1 (0.67) GAACA1CA2CA12CA9
SCHEMBL7716978 0.83 CA1 (0.68) L3MBTL1GAACA1CA2CA12
SCHEMBL3919184 0.81 CA1 (0.66) GAACA1CA2CA12CA9
SCHEMBL7770155 0.81 CA1 (0.66) GAACA1CA2CA12CA9
SCHEMBL7774872 0.81 CA1 (0.66) GAACA1CA2CA12CA9
SCHEMBL3913717 0.81 CA1 (0.66) GAACA1CA2CA12CA9
SCHEMBL3918802 0.81 CA1 (0.66) GAACA1CA2CA12CA9
SCHEMBL1709756 0.81 TP53 (0.72) CA1CA2CA12CA9TP53
SCHEMBL16013604 0.80 TP53 (0.67) GAACA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4247456-A Water-insoluble monoazo pyridone dye CASSELLA AKTIENGESELLSCHAFT (DE) 1981-01-27 US disclosed
US-3957749-A WATER-INSOLUBLE MONOAZO PYRIDINE DYES CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed