SCHEMBL7872045

SCHEMBL7872045

O=C(Nc1ccc(C(=O)O)cn1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.51
EPHX2 P34913 1/20 0.51
KMT2A Q03164 2/20 0.48
GCK P35557 3/20 0.46
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL346077 0.88 KMT2A (0.52) HCAR3EPHX2KMT2AGCKRARA
SCHEMBL28552605 0.84 EPHX2 (0.52) EPHX2KMT2ATP53
SCHEMBL6937376 0.84 EPHX2 (0.49) EPHX2KMT2AFABP7FABP5MDM4
SCHEMBL29679239 0.81 KMT2A (0.51) EPHX2KMT2AFABP7FABP5MDM4
SCHEMBL29401210 0.81 EPHX2 (0.63) EPHX2KMT2AFABP7FABP5MDM4
SCHEMBL21303577 0.81 EPHX2 (0.56) EPHX2KMT2AFABP7FABP5
SCHEMBL118052 0.81 EPHX2 (0.63) EPHX2KMT2AFABP7FABP5MDM4
SCHEMBL29561956 0.81 EPHX2 (0.63) EPHX2KMT2AFABP7FABP5MDM4
SCHEMBL24660367 0.78 KMT2A (0.54) EPHX2KMT2A
SCHEMBL7913189 0.78 EPHX2 (0.59) EPHX2KMT2AFABP7FABP5MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102167728-B Improved gastrin releasing peptide compounds BRACCO IMAGING SPA 2013-05-29 CN disclosed
CN-102167728-A Improved gastrin releasing peptide compounds BRACCO IMAGING SPA 2011-08-31 CN disclosed
CN-1897980-A Improved gastrin releasing peptide compounds BRACCO IMAGING SPA (IT) 2007-01-17 CN disclosed
CN-1738650-A Improved gastrin releasing peptide compounds BRACCO IMAGING SPA (IT) 2006-02-22 CN disclosed
US-6326403-B1 CARDIOVASCULAR DISORDERS MERCK PATENT GESELLSCHAFT MIT (DE) 2001-12-04 US disclosed
CN-1309633-A Diacylhydrazine derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2001-08-22 CN disclosed