SCHEMBL7686573

SCHEMBL7686573

CCOC(=O)C(CC)n1c(C(=O)OCc2ccccc2)cc2cc(C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.44
NOD1 Q9Y239 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 6/20 0.41
LMNA P02545 4/20 0.40
SRD5A2 P31213 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
TP53 P04637 1/20 0.39
F10 P00742 1/20 0.39
DHODH Q02127 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL7686433 0.84 MAPT (0.44) NOD2NOD1KMT2AMEN1L3MBTL1
SCHEMBL7683727 0.80 NOD2 (0.46) NOD2NOD1KMT2AMEN1L3MBTL1
SCHEMBL7686577 0.76 NOD2 (0.49) NOD2NOD1KMT2AMEN1L3MBTL1
SCHEMBL1553259 0.74 SRD5A2 (0.58) KMT2AMEN1L3MBTL1LMNASRD5A2
SCHEMBL85958 0.72 SRD5A2 (0.51) NOD2NOD1KMT2AMEN1L3MBTL1
SCHEMBL7684727 0.72 F10 (0.46) NOD2NOD1KMT2AMEN1L3MBTL1
SCHEMBL12392918 0.72 SRD5A2 (0.53) NOD2NOD1KMT2AMEN1L3MBTL1
SCHEMBL7682416 0.70 F10 (0.44) NOD2NOD1KMT2AMEN1TDP1
SCHEMBL11529770 0.69 MAPT (0.67) NOD2NOD1KMT2AMEN1L3MBTL1
SCHEMBL12930104 0.69 NOD2 (0.67) NOD2NOD1KMT2AMEN1L3MBTL1

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-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed