SCHEMBL9200822

SCHEMBL9200822

CC(C)(CNC(=O)OCc1ccccc1)OC(=O)CN1C(=O)CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
ACE P12821 2/20 0.43
MAPT P10636 4/20 0.42
TP53 P04637 3/20 0.42
NOTUM Q6P988 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL9201957 0.77 POLB (0.51) POLBPTGER1PTGER4PTGER3PTGER2
SCHEMBL5641249 0.74 MAPT (0.58) POLBMAPTTP53NOTUMTHRB
SCHEMBL7418419 0.72 CCKBR (0.53)
SCHEMBL8073114 0.72 TMEM97 (0.49) NPC1RAB9AL3MBTL1
SCHEMBL11231189 0.72 NPSR1 (0.61) POLBMAPTTP53NOTUMTHRB
SCHEMBL7367008 0.71 PREP (0.48) LMNANPC1RAB9A
SCHEMBL28663653 0.71 SMN1; SMN2 (0.54) LMNAL3MBTL1
SCHEMBL7423982 0.71 NOTUM (0.47) POLBPTGER1PTGER4PTGER3PTGER2
SCHEMBL29035758 0.71 POLB (0.54) POLBMAPTTHRB
SCHEMBL7423680 0.71 L3MBTL1 (0.52) POLBPTGER1PTGER4PTGER3PTGER2

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-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed