SCHEMBL19339404

SCHEMBL19339404

CCCNCC(=O)OCC(=O)c1ccc2c(c1)COCc1cc(C(=O)COC(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.36
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL19339655 0.87 PREP (0.37) PREPMEN1KMT2APDE4APDE4B
SCHEMBL9977159 0.87 PREP (0.42) PREPMEN1KMT2AKDM4EMAPT
SCHEMBL15368133 0.87 PREP (0.42) PREPMEN1KMT2AKDM4EMAPT
SCHEMBL17656300 0.87 PREP (0.41) PREPMEN1KMT2APDE4APDE4B
SCHEMBL2708422 0.82 PREP (0.41) PREPMEN1KMT2AKDM4ENPC1
SCHEMBL202883 0.82 PREP (0.41) PREPMEN1KMT2AKDM4ENPC1
SCHEMBL18462482 0.82 PREP (0.41) PREPMEN1KMT2AKDM4ENPC1
SCHEMBL16891276 0.76 PREP (0.43) PREPMEN1KMT2APDE4APDE4B
SCHEMBL17066298 0.76 PREP (0.50) PREPMEN1KMT2AMAPTNPC1
SCHEMBL2709941 0.76 PREP (0.42) PREPMEN1KMT2AKDM4ENPC1

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-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed