SCHEMBL4695567

SCHEMBL4695567

CC(=O)Nc1ccc(OC(=O)c2ccccc2)cc1OCC1(C)CO1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
BRD4 O60885 10/20 0.43
CYP19A1 P11511 1/20 0.43
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL4210229 1.00 KMT2A (0.44) KMT2ABRD4CYP19A1MEN1MAPT
SCHEMBL4210226 1.00 KMT2A (0.44) KMT2ABRD4CYP19A1MEN1MAPT
SCHEMBL3201062 0.86 KDM4E (0.45) KMT2ABRD4CYP19A1LMNASMN1; SMN2
SCHEMBL4216922 0.83 ALDH1A1 (0.51) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL4216929 0.83 ALDH1A1 (0.51) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL28253627 0.82 KMT2A (0.54) KMT2ABRD4MEN1MAPTTDP1
SCHEMBL3807614 0.78 BRD4 (0.58) KMT2ABRD4MAPTLMNASMN1; SMN2
SCHEMBL3807611 0.78 BRD4 (0.58) KMT2ABRD4MAPTLMNASMN1; SMN2
SCHEMBL6214263 0.78 BRD4 (0.58) KMT2ABRD4MAPTLMNASMN1; SMN2
SCHEMBL4351537 0.78 KDM4E (0.42) KMT2ABRD4CYP19A1MEN1MAPT

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
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed