SCHEMBL541386

SCHEMBL541386

C[C@H](N)C(=O)OC[C@H]1CN(c2ccc(OCC3(O)CCN(c4cc5c(cc4F)c(=O)c(OC(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 2/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.38
CYP1A2 P05177 1/20 0.37
TOP2A P11388 1/20 0.37
CYP2C9 P11712 1/20 0.37
PIK3CG P48736 2/20 0.36
MAOB P27338 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL27762032 0.93 KDM4E (0.47) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL541890 0.93 KDM4E (0.47) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL541385 0.93 KDM4E (0.47) TOP2BKDM4EALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL541350 0.93 KDM4E (0.46) TOP2BKDM4EALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL541802 0.93 KDM4E (0.46) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL542133 0.92 KDM4E (0.40) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL541619 0.90 KDM4E (0.42) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL541499 0.89 KDM4E (0.38) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL2478238 0.87 TOP2B (0.51) TOP2BKDM4EALDH1A1LMNAHPGD
SCHEMBL541523 0.86 KDM4E (0.40) TOP2BKDM4EALDH1A1LMNAHPGD

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