SCHEMBL7316205

SCHEMBL7316205

COc1ccc2c(c1)CC(OC(=O)O)N2C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
NOTUM Q6P988 1/20 0.49
TNF P01375 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CACNA1S Q13698 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HSD17B3 P37058 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL7316200 0.81 NOTUM (0.51) LMNANOTUMTNFNOD2NOD1
SCHEMBL2209599 0.81 LMNA (0.68) LMNANOTUMTNFNOD2NOD1
SCHEMBL12428954 0.81 LMNA (0.68) LMNANOTUMTNFNOD2NOD1
SCHEMBL2205547 0.81 LMNA (0.68) LMNANOTUMTNFNOD2NOD1
SCHEMBL7308465 0.81 LMNA (0.37) LMNANOTUM
SCHEMBL7311635 0.79 NOTUM (0.60) NOTUM
SCHEMBL7321256 0.79 NOTUM (0.60) NOTUM
SCHEMBL1760527 0.77 LMNA (0.50) LMNANOTUMTNFNOD2NOD1
SCHEMBL1760639 0.76 NOTUM (0.52) LMNANOTUMTNFNOD2NOD1
SCHEMBL10920057 0.72 NOTUM (0.44) LMNANOTUMTNFNOD2NOD1

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
EP-0050850-A1 1-Carboxyalkanoylindolin-2-carboxylic acids and derivatives thereof, processes for their preparation, and pharmaceutical compositions containing these compounds CIBA-GEIGY AG (CH) 1982-05-05 EP disclosed