SCHEMBL6160784

SCHEMBL6160784

Cc1[c]cccc1C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MPO P05164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC8 Q9BY41 6/20 0.43
MMP3 P08254 2/20 0.43
LMNA P02545 1/20 0.42
HDAC7 Q8WUI4 3/20 0.40
HDAC6 Q9UBN7 7/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC2 Q92769 3/20 0.38
HDAC3 O15379 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
IDO1 P14902 1/20 0.38
ALOX15 P16050 1/20 0.38
CA9 Q16790 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL1100763 0.85 GAA (0.48) GAAHDAC8HDAC6HDAC2
SCHEMBL753675 0.78 ALDH1A1 (0.48) KDM4ESMN1; SMN2HDAC8CA12CA1
SCHEMBL4372772 0.78 PBRM1 (0.37) KDM4ESMN1; SMN2LMNAALOX15HSD17B10
SCHEMBL1098615 0.77 TSHR (0.50) KDM4ESMN1; SMN2LMNACA1ALOX15
SCHEMBL1893396 0.76 PARP1 (0.44) GAAKDM4ESMN1; SMN2LMNAHSD17B10
SCHEMBL6312483 0.75 NPSR1 (0.48) SMN1; SMN2HIF1ALMNACA1HSD17B10
SCHEMBL10412258 0.73 HSP90AB1 (0.39) KDM4ESMN1; SMN2HSD17B10
SCHEMBL4024749 0.73 KMT2A (0.46) GAAKDM4ESMN1; SMN2
SCHEMBL5840102 0.73 NPC1 (0.46) KDM4ESMN1; SMN2LMNACA12CA1
SCHEMBL1331243 0.71 GAA (0.73) GAAKDM4EMPOSMN1; SMN2HIF1A

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 4 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
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed