SCHEMBL7681383

SCHEMBL7681383

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 8/20 0.73
KMT2A Q03164 6/20 0.73
MEN1 O00255 5/20 0.73
TP53 P04637 2/20 0.73
MAPT P10636 2/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
NFKB1 P19838 1/20 0.73
MAPK1 P28482 1/20 0.73
CYP2C19 P33261 1/20 0.73
HIF1A Q16665 1/20 0.73
MTOR P42345 1/20 0.73
SMN1; SMN2 Q16637 4/20 0.72
LMNA P02545 3/20 0.72
GMNN O75496 1/20 0.72
BLM P54132 1/20 0.72
PMP22 Q01453 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
NPC1 O15118 2/20 0.50

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
SCHEMBL7681224 0.91 UGCG (0.72) UGCGKMT2AMEN1TP53MAPT
SCHEMBL6549046 0.85 UGCG (0.74) UGCGKMT2AMEN1TP53MAPT
SCHEMBL5452846 0.85 UGCG (1.00) UGCGKMT2AMEN1TP53MAPT
SCHEMBL12000798 0.85 UGCG (1.00) UGCGKMT2AMEN1TP53MAPT
SCHEMBL840939 0.85 UGCG (1.00) UGCGKMT2AMEN1TP53MAPT
SCHEMBL23845860 0.85 UGCG (1.00) UGCGKMT2AMEN1TP53MAPT
SCHEMBL14304968 0.85 UGCG (1.00) UGCGKMT2AMEN1TP53MAPT
SCHEMBL13460643 0.85 UGCG (1.00) UGCGKMT2AMEN1TP53MAPT
SCHEMBL723342 0.85 UGCG (1.00) UGCGKMT2AMEN1TP53MAPT
SCHEMBL137622 0.85 UGCG (1.00) UGCGKMT2AMEN1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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