SCHEMBL10428009

SCHEMBL10428009

CN(C)NC(=O)CCC(=O)O.C[N+]1(C)CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 7/20 0.67
KDM2A Q9Y2K7 7/20 0.67
KDM7A Q6ZMT4 1/20 0.67
BBOX1 O75936 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 5/20 0.36
KDM5C P41229 4/20 0.36
EGLN1 Q9GZT9 4/20 0.36
KDM6B O15054 2/20 0.35
FOLH1 Q04609 1/20 0.35
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
CASP6 P55212 1/20 0.31
LMNA P02545 2/20 0.30
ALKBH5 Q6P6C2 1/20 0.30
SUCNR1 Q9BXA5 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
SCHEMBL50347 0.82 PHF8 (1.00) PHF8KDM2AKDM7AALDH1A1KDM4E
Succinic Acid SCHEMBL18497045 0.82 PHF8 (1.00) PHF8KDM2AKDM7AALDH1A1KDM4E
SCHEMBL17047606 0.82 PHF8 (1.00) PHF8KDM2AKDM7AALDH1A1KDM4E
Succinic Acid SCHEMBL18497046 0.82 PHF8 (1.00) PHF8KDM2AKDM7AALDH1A1KDM4E
SCHEMBL28264782 0.76 PHF8 (0.87) PHF8KDM2AKDM7AALDH1A1KDM4E
Glycine SCHEMBL8159005 0.74 PHF8 (0.83) PHF8KDM2AKDM7AALDH1A1KDM4E
SCHEMBL584428 0.73 PHF8 (0.80) PHF8KDM2AKDM7AALDH1A1KDM4E
SCHEMBL11001908 0.69 PHF8 (0.71) PHF8KDM2AKDM7AKDM4EKDM5C
SCHEMBL29748872 0.69 KDM7A (0.72) PHF8KDM2AKDM7AALDH1A1KMT2A
Valine SCHEMBL17378163 0.67 PHF8 (0.67) PHF8KDM2AKDM7AKDM4EKDM5C

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
US-4936906-A 2-ACYL-3-HYDROXYCYCLOHEX-2-EN-1-ONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1990-06-26 US disclosed