SCHEMBL15057481

SCHEMBL15057481

COC(=O)c1ccc(NC(=O)c2ccc(C)o2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.76
MAPT P10636 5/20 0.67
HTT P42858 2/20 0.67
POLB P06746 2/20 0.66
SMN1; SMN2 Q16637 5/20 0.62
NPC1 O15118 6/20 0.61
RAB9A P51151 5/20 0.61
TP53 P04637 3/20 0.61
PKM P14618 5/20 0.60
PSMD14 O00487 1/20 0.58
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
THRB P10828 1/20 0.55
ATM Q13315 1/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL17664665 0.82 KLK7 (0.89) KLK7MAPTHTTPOLBSMN1; SMN2
SCHEMBL7777752 0.80 KLK7 (0.83) KLK7MAPTHTTPOLBSMN1; SMN2
SCHEMBL6263820 0.78 NPC1 (0.83) MAPTHTTSMN1; SMN2NPC1RAB9A
SCHEMBL8660366 0.78 NPC1 (0.83) MAPTHTTSMN1; SMN2NPC1RAB9A
SCHEMBL19250385 0.78 KLK7 (0.81) KLK7MAPTHTTPOLBSMN1; SMN2
SCHEMBL15056631 0.78 KLK7 (0.60) KLK7MAPTHTTPOLBSMN1; SMN2
SCHEMBL2536044 0.78 LMNA (0.78) KLK7MAPTHTTPOLBSMN1; SMN2
SCHEMBL12698771 0.77 SMN1; SMN2 (1.00) KLK7MAPTHTTPOLBSMN1; SMN2
SCHEMBL17660222 0.77 KLK7 (0.78) KLK7MAPTHTTPOLBSMN1; SMN2
SCHEMBL6816610 0.77 KLK7 (0.71) KLK7MAPTHTTPOLBSMN1; SMN2

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
WO-2013093508-A2 WNT PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2013-06-27 WO disclosed
WO-2013093508-A2 WNT PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2013-06-27 WO disclosed