SCHEMBL542133

SCHEMBL542133

C[C@H](N)C(=O)OC[C@H]1CN(c2ccc(OCC3CCN(c4cc5c(cc4F)c(=O)c(OC(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TOP2B Q02880 2/20 0.40
MAPT P10636 1/20 0.40
MAOA P21397 1/20 0.39
CYP1A2 P05177 1/20 0.39
TOP2A P11388 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CG P48736 2/20 0.38
MAOB P27338 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL541579 0.93 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541580 0.93 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL28784100 0.93 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL542131 0.93 KDM4E (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL542132 0.93 KDM4E (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541386 0.92 TOP2B (0.39) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541349 0.90 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541114 0.86 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541790 0.86 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541890 0.85 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10

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-2086968-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-08 EP claimed