SCHEMBL7584559

SCHEMBL7584559

CC(Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
BBOX1 O75936 2/20 0.31
EGLN1 Q9GZT9 2/20 0.31
FTO Q9C0B1 1/20 0.31
CXCL8 P10145 1/20 0.31
ADAMTS4 O75173 1/20 0.30

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
SCHEMBL5322277 0.74 TP53 (0.33) RAB9ATP53ALDH1A1BBOX1EGLN1
SCHEMBL11687819 0.74 ALDH1A1 (0.39) CA1CA2CA12CA9CA14
SCHEMBL5322290 0.74 TP53 (0.33) RAB9ATP53ALDH1A1BBOX1EGLN1
SCHEMBL8496697 0.74 ALDH1A1 (0.39) CA1CA2CA12CA9CA14
SCHEMBL4316481 0.73 SMN1; SMN2 (0.36) CA1CA2TP53ALDH1A1
SCHEMBL4316479 0.73 SMN1; SMN2 (0.36) CA1CA2TP53ALDH1A1
SCHEMBL724702 0.69
SCHEMBL2181878 0.69
SCHEMBL6849192 0.69 TP53 (0.42) KDM4CCA1CA2RAB9ATP53
SCHEMBL724701 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002100885-A2 A PENTA- OR TETRAPEPTIDE BINDING TO SOMATOSTATIN RECEPTORS AND THE USE OF THE SAME NOVASPIN BIOTECH GMBH (DE) 2002-12-19 WO disclosed