SCHEMBL7366566

SCHEMBL7366566

COC(=O)C(N)(CN)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
KCNN4 O15554 1/20 0.33
KDM4E B2RXH2 2/20 0.32
DGAT1 O75907 1/20 0.32
SRC P12931 1/20 0.31
LMNA P02545 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
SCHEMBL8970993 0.88 DGAT1 (0.36) SMN1; SMN2KCNN4KDM4EDGAT1LMNA
SCHEMBL27858824 0.82 MEN1 (0.38) SMN1; SMN2HIF1AKCNN4DGAT1SRC
SCHEMBL609386 0.78 DGAT1 (0.39) SMN1; SMN2HIF1AKDM4EDGAT1
SCHEMBL28721112 0.78 DGAT1 (0.39) SMN1; SMN2HIF1AKDM4EDGAT1
SCHEMBL6009380 0.78 ALOX15 (0.39) SMN1; SMN2KDM4ELMNA
SCHEMBL1066622 0.78 DGAT1 (0.39) SMN1; SMN2HIF1AKDM4EDGAT1
SCHEMBL27858821 0.78 ALDH1A1 (0.35) SMN1; SMN2HIF1AKCNN4DGAT1LMNA
SCHEMBL27738859 0.78 ARG2 (0.34) SMN1; SMN2HIF1AKCNN4DGAT1
SCHEMBL8861395 0.78 ARG1 (0.35) SMN1; SMN2HIF1AKDM4E
SCHEMBL825611 0.77 SMN1; SMN2 (0.42) SMN1; SMN2HIF1AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997048444-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO claimed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 WO claimed