SCHEMBL7683727

SCHEMBL7683727

CCCCC(C(=O)OCC)n1c(C(=O)OCc2ccccc2)cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 6/20 0.46
NOD1 Q9Y239 6/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F10 P00742 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
F2 P00734 1/20 0.41
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 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
SCHEMBL7686006 0.87 MCL1 (0.46) NOD2NOD1KMT2AMEN1ALDH1A1
SCHEMBL7686573 0.80 NOD2 (0.44) NOD2NOD1KMT2AMEN1ALDH1A1
SCHEMBL8689957 0.77 SMN1; SMN2 (0.54) NOD2NOD1KMT2AMEN1ALDH1A1
SCHEMBL7682416 0.77 F10 (0.44) NOD2NOD1KMT2AMEN1ALDH1A1
SCHEMBL22258127 0.74 MCL1 (0.60) NOD2NOD1KMT2ATDP1F10
SCHEMBL5794123 0.74 NOD2 (0.57) NOD2NOD1KMT2AMEN1ALDH1A1
SCHEMBL29463237 0.74 NOD2 (0.57) NOD2NOD1KMT2AMEN1ALDH1A1
SCHEMBL11158786 0.74 CNR2 (0.45) NOD2NOD1KMT2AMEN1ALDH1A1
SCHEMBL2460494 0.72 NOD2 (0.56) NOD2NOD1KMT2AMEN1ALDH1A1
SCHEMBL8689867 0.72 KDM4E (0.54) NOD2NOD1KMT2AMEN1F10

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