SCHEMBL7420002

SCHEMBL7420002

CC(C)(COCc1ccccc1)OC(=O)NN1C(=O)CCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ACE P12821 1/20 0.37
SCN9A Q15858 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
NOTUM Q6P988 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPY1R P25929 1/20 0.35

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
SCHEMBL7416761 0.85 POLB (0.41) POLBL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL7414937 0.85 L3MBTL1 (0.42) POLBL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL7423982 0.84 NOTUM (0.47) POLBL3MBTL1NPC1RAB9APTGER1
SCHEMBL7423680 0.81 L3MBTL1 (0.52) POLBL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL5638613 0.81 L3MBTL1 (0.49) POLBL3MBTL1ALDH1A1GAASCN9A
SCHEMBL9196586 0.80 L3MBTL1 (0.39) POLBL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL7421747 0.79 L3MBTL1 (0.41) POLBL3MBTL1ALDH1A1GAAMEN1
SCHEMBL7418469 0.78 L3MBTL1 (0.40) POLBL3MBTL1ALDH1A1GAAMEN1
SCHEMBL7795540 0.74 L3MBTL1 (0.44) POLBL3MBTL1NPC1SCN9AMEN1
SCHEMBL4413239 0.70 NOTUM (0.47) L3MBTL1SCN9AMEN1KMT2ANOTUM

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 3 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
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed