SCHEMBL7682387

SCHEMBL7682387

CCOC(=O)c1cc(NC(=O)c2ncn(Cc3ccccc3)c2CC2CCCCCC2)cc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MITF O75030 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL6161594 0.92 GAA (0.41) TSHR
SCHEMBL7682379 0.90 KDM4E (0.43) MAPTKMT2AALDH1A1TP53LMNA
SCHEMBL7086563 0.83 CYP19A1 (0.43) KMT2AALDH1A1TP53LMNAMEN1
SCHEMBL7083590 0.76 PKM (0.56) ALDH1A1LMNATSHRKDM4E
SCHEMBL7946943 0.76 CNR1 (0.43) MAPTALDH1A1KDM4E
SCHEMBL7083613 0.72 MEN1 (0.41) MAPTKMT2AALDH1A1TP53POLB
SCHEMBL7688552 0.69 CREBBP (0.43) L3MBTL1
SCHEMBL6164410 0.66
SCHEMBL4958152 0.66 TSHR (0.54) ALDH1A1TP53LMNAPOLBTSHR
SCHEMBL7682842 0.65 PKM (0.38) L3MBTL1

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
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
WO-2001085167-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PROTON PUMP INHIBITORS AND GASTRIN/CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed