SCHEMBL11037632

SCHEMBL11037632

N=C(N)NCCCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.43
REN P00797 4/20 0.43
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
PEPD P12955 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
HRH1 P35367 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
DPP4 P27487 5/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40

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
SCHEMBL7272757 1.00 ACE (0.43) ACERENKDM4EF2LMNA
Sulfuric Acid SCHEMBL28295501 0.96 ACE (0.40) ACERENKDM4EF2LMNA
Sulfuric Acid SCHEMBL28295504 0.96 ACE (0.40) ACERENKDM4EF2LMNA
SCHEMBL2114955 0.95 ACE (0.46) ACERENKDM4EF2LMNA
SCHEMBL1674799 0.95 ACE (0.46) ACERENKDM4EF2LMNA
SCHEMBL3451623 0.95 ACE (0.46) ACERENKDM4EF2LMNA
SCHEMBL27775712 0.95 ACE (0.46) ACERENKDM4EF2LMNA
SCHEMBL2114959 0.95 ACE (0.46) ACERENKDM4EF2LMNA
Arginine SCHEMBL7263651 0.92 DPP4 (0.46) ACEDPP4DPP8DPP9DPP7
SCHEMBL30974453 0.91 ACE (0.40) ACERENKDM4EF2LMNA

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-0155165-A2 Process for introducing phosphinoyl groups into amino groups AJINOMOTO CO., INC. (JP) 1985-09-18 EP disclosed