SCHEMBL7423680

SCHEMBL7423680

O=C(NN1C(=O)CCc2ccccc21)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.48
NOTUM Q6P988 1/20 0.47
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL9617072 0.82 NPC1 (0.50) L3MBTL1NPC1RAB9APOLBNOTUM
SCHEMBL876242 0.82 CASP1 (0.48) NPC1RAB9APOLBALDH1A1GAA
SCHEMBL7423982 0.82 NOTUM (0.47) L3MBTL1NPC1RAB9APOLBNOTUM
SCHEMBL7420002 0.81 POLB (0.40) L3MBTL1NPC1RAB9APOLBNOTUM
SCHEMBL6178448 0.81 NPC1 (0.43) L3MBTL1NPC1RAB9ANOTUMGAA
SCHEMBL6178825 0.81 GAA (0.45) L3MBTL1NPC1RAB9APOLBALDH1A1
SCHEMBL7045087 0.79 NPC1 (0.61) L3MBTL1NPC1RAB9APOLBNOTUM
SCHEMBL7414937 0.79 L3MBTL1 (0.42) L3MBTL1NPC1RAB9APOLBNOTUM
SCHEMBL7416761 0.78 POLB (0.41) L3MBTL1NPC1RAB9APOLBALDH1A1
SCHEMBL9196586 0.78 L3MBTL1 (0.39) L3MBTL1NPC1RAB9APOLBPTGER1

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-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed