SCHEMBL4660093

SCHEMBL4660093

COC[C@](C#N)(C(=O)OC)[C@H](c1cnc2ccccc2c1)c1ccccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.39
ALPL P05186 8/20 0.39
LMNA P02545 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NOTUM Q6P988 1/20 0.37
FAAH O00519 1/20 0.37
SCN9A Q15858 1/20 0.36

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
SCHEMBL4660066 0.92 PDE4D (0.43) PDE4DSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL4660062 0.92 PDE4D (0.43) PDE4DSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL4660107 0.84 ALPL (0.43) PDE4DSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL4659962 0.81 PDE4D (0.43) PDE4DSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL4659922 0.72 ALPL (0.42) PDE4DSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL5433411 0.71 MEN1 (0.41) SMN1; SMN2KMT2AKDM4EMEN1NPC1
SCHEMBL5435957 0.71 MEN1 (0.41) SMN1; SMN2KMT2AKDM4EMEN1NPC1
SCHEMBL4661303 0.71 PDE4D (0.44) PDE4DSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL4660016 0.71 KDM4E (0.38) KMT2AKDM4EMEN1LMNARAB9A
SCHEMBL5427021 0.71 ESR1 (0.44) KMT2AKDM4EMEN1ALDH1A1MAPT

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-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 EP claimed