SCHEMBL6159432

SCHEMBL6159432

COc1cccc(-c2nc(C(=O)O)c(CCC3CCCCCC3)[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.59
MAPT P10636 4/20 0.51
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
ADORA2A P29274 1/20 0.47
TP53 P04637 1/20 0.47
SLC9A1 P19634 1/20 0.46
GRK6 P43250 1/20 0.44
PARP1 P09874 1/20 0.43

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
SCHEMBL6159761 0.86
SCHEMBL6158375 0.86 PIN1 (0.49) PIN1MAPT
SCHEMBL6159402 0.77 PIN1 (0.48) PIN1
SCHEMBL6159561 0.75 SLC9A1 (0.43) MEN1ALDH1A1HPGDKMT2ATP53
SCHEMBL6161128 0.74 PIN1 (0.51) PIN1
SCHEMBL6168668 0.74
SCHEMBL6159803 0.73
SCHEMBL6160991 0.73 CHEK2 (0.41) PIN1
SCHEMBL6161614 0.73 BRS3 (0.41) MEN1ALDH1A1KMT2APARP1
SCHEMBL7992228 0.70 PIN1 (0.68) PIN1MAPTMEN1ALDH1A1HPGD

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