SCHEMBL7096768

SCHEMBL7096768

CC(C)(C)OC(=O)N[C@@H](CN1CCOCC1)[C@@H](O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
UGCG Q16739 2/20 0.61
MAPT P10636 2/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
NFKB1 P19838 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
HIF1A Q16665 1/20 0.61
MTOR P42345 1/20 0.61
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
GMNN O75496 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL10209787 0.90 UGCG (0.59) KMT2AMEN1UGCGMAPTTP53
SCHEMBL19645362 0.86 MEN1 (0.69) KMT2AMEN1UGCGMAPTTP53
SCHEMBL12091628 0.86 MEN1 (0.69) KMT2AMEN1UGCGMAPTTP53
SCHEMBL16938510 0.86 MEN1 (0.69) KMT2AMEN1UGCGMAPTTP53
SCHEMBL12091630 0.86 MEN1 (0.69) KMT2AMEN1UGCGMAPTTP53
SCHEMBL13852060 0.85 GPR88 (0.52) KMT2AMEN1UGCGMAPTTP53
SCHEMBL28548614 0.85 GPR88 (0.52) KMT2AMEN1UGCGMAPTTP53
SCHEMBL5553004 0.84 MEN1 (0.69) KMT2AMEN1UGCGMAPTTP53
SCHEMBL495779 0.83 KLK5 (0.55)
SCHEMBL495781 0.83 KLK5 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0782992-B1 Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO CO LTD (JP) 2003-09-03 EP disclosed
US-6335444-B1 Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-01 US disclosed
US-5907039-A Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-05-25 US disclosed
EP-0782992-A1 Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO KABUSHIKI KAISHA (SEIKAGAKU CORPORATION) (JP) 1997-07-09 EP disclosed