SCHEMBL7101189

SCHEMBL7101189

O=C(N[C@H](CN1CCOCC1)[C@H](O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
CYP3A4 P08684 3/20 0.59
UGCG Q16739 2/20 0.59
TP53 P04637 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
NFKB1 P19838 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
HIF1A Q16665 1/20 0.59
MAPT P10636 1/20 0.59
MTOR P42345 1/20 0.59
NPSR1 Q6W5P4 2/20 0.58
GMNN O75496 1/20 0.58
LMNA P02545 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
OPRK1 P41145 4/20 0.49

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
SCHEMBL7096072 1.00 KMT2A (0.59) KMT2AMEN1CYP3A4UGCGTP53
SCHEMBL295478 1.00 KMT2A (0.59) KMT2AMEN1CYP3A4UGCGTP53
Hydrochloric Acid SCHEMBL294383 0.99 KMT2A (0.59) KMT2AMEN1CYP3A4UGCGTP53
SCHEMBL6547243 0.90 CYP3A4 (0.58) KMT2AMEN1CYP3A4UGCGTP53
SCHEMBL7102820 0.90 OPRK1 (0.60) KMT2AMEN1CYP3A4UGCGTP53
SCHEMBL7099886 0.90 OPRK1 (0.60) KMT2AMEN1CYP3A4UGCGTP53
SCHEMBL299718 0.90 OPRK1 (0.60) KMT2AMEN1CYP3A4UGCGTP53
SCHEMBL7102877 0.89 OPRK1 (0.59) KMT2AMEN1CYP3A4UGCGTP53
SCHEMBL7102858 0.87 OPRK1 (0.52) KMT2AMEN1CYP3A4UGCGTP53
SCHEMBL6547247 0.86 KMT2A (0.54) KMT2AMEN1CYP3A4UGCGTP53

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