SCHEMBL6162102

SCHEMBL6162102

C[C@@H](C(=O)OCc1ccccc1)c1cccc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PTGS1 P23219 4/20 0.46
PTGS2 P35354 4/20 0.46
CPN1 P15169 1/20 0.46
CPB2 Q96IY4 1/20 0.46
MAOB P27338 1/20 0.45
ALOX5 P09917 1/20 0.44
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL2189751 1.00 PPARG (0.46) PPARGPPARAALDH1A1PTGS1PTGS2
SCHEMBL6161422 1.00 PPARG (0.46) PPARGPPARAALDH1A1PTGS1PTGS2
SCHEMBL10594163 0.85 ALDH1A1 (0.49) PPARGPPARAALDH1A1PTGS1PTGS2
SCHEMBL4007604 0.85 ALDH1A1 (0.58) PPARGPPARAALDH1A1PTGS1KMT2A
SCHEMBL306179 0.84 POLB (0.51) PPARGPPARAALDH1A1PTGS1PTGS2
SCHEMBL20004309 0.84 ALDH1A1 (0.50) PPARGPPARAALDH1A1PTGS1MAOB
SCHEMBL21539091 0.83 TACR1 (0.47) PPARGPPARAALDH1A1PSEN1PSEN2
SCHEMBL11628886 0.83 CPN1 (0.49) ALDH1A1CPN1CPB2MAOBKMT2A
SCHEMBL27577500 0.83 ALDH1A1 (0.41) ALDH1A1CPN1CPB2MAOBKMT2A
SCHEMBL6163227 0.82 SMN1; SMN2 (0.48) ALDH1A1PTGS1PTGS2CPN1CPB2

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