SCHEMBL8931478

SCHEMBL8931478

O=C(O)[C@H](CCS)Nc1cccc(C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CASR P41180 1/20 0.39
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
POLB P06746 1/20 0.37
MME P08473 3/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL2418011 0.89 KDM4E (0.40) C3AR1KDM4EGAAMAPTMAPK1
SCHEMBL31530762 0.83 GAA (0.43) GAAHDAC1HDAC8HDAC6HDAC3
SCHEMBL4738120 0.76 CA12 (0.45) KDM4EGAAMAPTMAPK1ALDH1A1
SCHEMBL1469563 0.72 MAPT (0.41) MAPTRAB9AHDAC1HDAC8HDAC6
SCHEMBL27505417 0.72 APAF1 (0.53) CASRPOLBMME
SCHEMBL11095520 0.71 MEN1 (0.49) KDM4EMAPTRAB9ACASRPOLB
SCHEMBL3385432 0.70 FNTA (0.44) KDM4EGAAMAPTFNTAFNTB
SCHEMBL2052733 0.70 FNTA (0.44) KDM4EGAAMAPTFNTAFNTB
SCHEMBL2052734 0.70 FNTA (0.44) KDM4EGAAMAPTFNTAFNTB
SCHEMBL3385428 0.70 FNTA (0.44) KDM4EGAAMAPTFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759786-A1 SOMATOSTATIN BINDING PEPTIDE-METAL CHELATE CONJUGATES DIATECH, INC. (US) 1997-03-05 EP disclosed
WO-1995031221-A1 SOMATOSTATIN BINDING PEPTIDE-METAL CHELATE CONJUGATES DIATECH, INC. (US) 1995-11-23 WO disclosed