SCHEMBL7440773

SCHEMBL7440773

NC(CO)C1COc2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA4 P22748 3/20 0.50
DPP4 P27487 3/20 0.50
CA5A P35218 3/20 0.50
CA9 Q16790 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
ADRA1A P35348 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NISCH Q9Y2I1 1/20 0.46
ALOX5 P09917 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL7434948 0.81 LMNA (0.51) ADRA1ALMNAMAPTSMN1; SMN2NPSR1
SCHEMBL10832049 0.80 LMNA (0.50) ADRA1ALMNAMAPTSMN1; SMN2NPSR1
SCHEMBL4461156 0.77 LMNA (0.54) CA1CA2CA4DPP4CA5A
SCHEMBL11055545 0.77 LMNA (0.50) CA1CA2CA4DPP4CA5A
SCHEMBL11055550 0.77 LMNA (0.50) CA1CA2CA4DPP4CA5A
SCHEMBL11279575 0.77 LMNA (0.50) CA1CA2CA4DPP4CA5A
SCHEMBL7434736 0.77 LMNA (0.50) CA1CA2CA4DPP4CA5A
Hydrochloric Acid SCHEMBL7437739 0.75 LMNA (0.49) CA1CA2CA4DPP4CA5A
SCHEMBL10852007 0.74 LMNA (0.40) CA1CA2CA4DPP4CA5A
SCHEMBL11440969 0.74 LMNA (0.50) ADRA1ALMNAMAPTSMN1; SMN2NPSR1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed