SCHEMBL6163099

SCHEMBL6163099

NC(=O)c1cc(CO)cc(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
PARP1 P09874 6/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.40
TSHR P16473 2/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRKCA P17252 2/20 0.37

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
SCHEMBL4447450 0.95 PRSS1 (0.42) PRSS1PRSS2PRSS3PARP1CYP3A4
SCHEMBL1172633 0.87 TSHR (0.39) PRSS1PRSS2PRSS3PARP1CYP3A4
SCHEMBL5898518 0.87 PARP10 (0.49) PRSS1PRSS2PRSS3PARP1CYP3A4
SCHEMBL16951666 0.85 CYP4F2 (0.47) PRSS1PRSS2PRSS3PARP1CYP3A4
SCHEMBL3488223 0.85 ADRA1D (0.50) PRSS1PRSS2PRSS3PARP1CYP3A4
SCHEMBL14434766 0.82 PRSS1 (0.34) PRSS1PRSS2PRSS3PARP1CYP3A4
SCHEMBL2791068 0.80 PRKCA (0.49) PRKCAPRKCDDHODH
SCHEMBL31469843 0.80 PLAU (0.42) PARP1CYP3A4SMN1; SMN2TSHRPLA2G10
SCHEMBL1172020 0.79 CYP3A4 (0.70) PRSS1PRSS2PRSS3PARP1CYP3A4
SCHEMBL1004651 0.78 RXRA (0.47) PARP1CYP3A4SMN1; SMN2TSHRPLA2G10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed