SCHEMBL10646993

SCHEMBL10646993

CN(CCCC(=O)O)C(=O)OC(C)(C)C.CNCCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
CA14 Q9ULX7 1/20 0.37
METAP2 P50579 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
EPHX2 P34913 6/20 0.33
BUB1 O43683 1/20 0.33
GBA1 P04062 1/20 0.33
TSHR P16473 1/20 0.33
CTSK P43235 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32

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
SCHEMBL693386 0.89 HDAC6 (0.40) CA14HDAC1HDAC2HDAC6EPHX2
SCHEMBL380584 0.88 CA14 (0.45) KDM4AKDM4CCA14METAP2HDAC1
SCHEMBL10646999 0.87 CA14 (0.36) KDM4AKDM4CCA14METAP2HDAC1
SCHEMBL9354393 0.86 CA14 (0.44) KDM4AKDM4CCA14METAP2HDAC1
SCHEMBL9354518 0.84 CA14 (0.43) KDM4AKDM4CCA14METAP2HDAC1
SCHEMBL7672284 0.84 CA14 (0.43) KDM4AKDM4CCA14METAP2HDAC1
SCHEMBL14735407 0.84 CA14 (0.43) KDM4AKDM4CCA14METAP2HDAC1
SCHEMBL1249634 0.84 EPHX2 (0.43) KDM4AKDM4CCA14HDAC1HDAC2
SCHEMBL23113130 0.83 EPHX2 (0.45) KDM4AKDM4CHDAC1HDAC2HDAC6
SCHEMBL8360181 0.83 EPHX2 (0.45) KDM4AKDM4CHDAC1HDAC2HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215942-A4 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1988-08-23 EP disclosed
EP-0215942-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1987-04-01 EP disclosed
WO-1986005519-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD SUMMERTON JAMES 1986-09-25 WO disclosed