SCHEMBL8129491

SCHEMBL8129491

COc1ccc(C(=O)OCc2ccccc2)cc1NC(=O)NCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
POLB P06746 2/20 0.62
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 4/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.49
LTB4R Q15722 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TRPM5 Q9NZQ8 1/20 0.47

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
SCHEMBL9058109 0.87 KMT2A (0.55) KMT2APOLBNPC1RAB9AMEN1
SCHEMBL9054261 0.84 MAPT (0.57) KMT2ANPC1RAB9AMEN1HDAC1
SCHEMBL14799014 0.80 SMN1; SMN2 (0.53) KMT2ANPC1RAB9AMEN1HDAC1
SCHEMBL8129495 0.80 LNPEP (0.61) POLBRAB9AHDAC1HDAC8HDAC6
SCHEMBL8130235 0.78 RAB9A (0.67) KMT2ANPC1RAB9AMEN1HDAC1
SCHEMBL8129497 0.78 ALDH1A1 (0.53) KMT2APOLBNPC1RAB9AMEN1
SCHEMBL7096104 0.78 EPHX1 (0.55) KMT2ANPC1RAB9AMEN1HDAC1
SCHEMBL17769825 0.77 MAPT (0.61) KMT2ANPC1RAB9AHDAC1HDAC8
SCHEMBL2430901 0.76 CASR (0.67) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL6813779 0.75 MEN1 (0.55) KMT2APOLBRAB9AMEN1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 EP disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US disclosed