SCHEMBL6159849

SCHEMBL6159849

Nc1cccc(NCC(=O)OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MGLL Q99685 1/20 0.47
GLA P06280 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MAOB P27338 1/20 0.44
RAB9A P51151 2/20 0.44
DDX3X O00571 1/20 0.44

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
SCHEMBL62534 0.85 ALDH1A1 (0.59) PLAUALDH1A1MAPK1L3MBTL1MGLL
SCHEMBL11471660 0.84 ALDH1A1 (0.51) PLAUALDH1A1MAPK1L3MBTL1MAOB
Hydrochloric Acid SCHEMBL27368126 0.84 ALDH1A1 (0.58) PLAUALDH1A1MAPK1L3MBTL1MGLL
SCHEMBL10832939 0.82 FFAR1 (0.58) ALDH1A1L3MBTL1MAOBRAB9AKDM4E
SCHEMBL20839664 0.81 SYK (0.49) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL8113690 0.80 LMNA (0.55) ALDH1A1MAPK1L3MBTL1MGLLGLA
SCHEMBL3583048 0.80 MGLL (0.72) ALDH1A1MGLLRAB9ADDX3XBLK
SCHEMBL18484918 0.79 ALDH1A1 (0.53) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6160833 0.79 RAB9A (0.64) ALDH1A1RAB9AMEN1LMNAMAPT
SCHEMBL8384393 0.78 GLA (0.65) ALDH1A1L3MBTL1GLARAB9AKDM4E

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 5 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
CN-1325385-A Gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2001-12-05 CN disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed