SCHEMBL7296180

SCHEMBL7296180

COCOCCN(C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.43
LDHA P00338 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
FPR2 P25090 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL7301298 0.91 KMT2A (0.48) RENLDHAALDH1A1KMT2AITGA4
SCHEMBL9833395 0.85 GAA (0.46) LDHAALDH1A1KMT2AGAARAB9A
SCHEMBL7292751 0.81 KMT2A (0.55) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL9832460 0.81 LDHA (0.50) LDHAALDH1A1KMT2AGAARAB9A
SCHEMBL7430899 0.77 ALDH1A1 (0.44) RENLDHAALDH1A1KMT2AGAA
SCHEMBL7306601 0.76 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL10534728 0.75 FPR2 (0.53) LDHAALDH1A1KMT2AITGA4ITGB7
SCHEMBL7333858 0.74 L3MBTL1 (0.45) ALDH1A1KMT2ALMNAGAAITGA4
SCHEMBL16879018 0.74 LDHA (0.54) LDHAALDH1A1KMT2AMEN1LMNA
SCHEMBL16879017 0.74 LDHA (0.54) LDHAALDH1A1KMT2AMEN1LMNA

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-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed