SCHEMBL7101185

SCHEMBL7101185

CCCCCCCCCC(=O)N[C@H](CN(CC)CC)[C@@H](O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.65
ALDH1A1 P00352 1/20 0.65
ACER2 Q5QJU3 1/20 0.65
UGCG Q16739 2/20 0.64
SMPD2 O60906 1/20 0.61
SMPD1 P17405 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
NFKB1 P19838 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
HIF1A Q16665 1/20 0.60
MAPT P10636 1/20 0.60
MTOR P42345 1/20 0.60
GMNN O75496 1/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL7790480 1.00 ASAH1 (0.65) ASAH1ALDH1A1ACER2UGCGSMPD2
SCHEMBL7099901 1.00 ASAH1 (0.65) ASAH1ALDH1A1ACER2UGCGSMPD2
SCHEMBL7770736 0.86 ASAH1 (0.73) ASAH1ALDH1A1ACER2UGCGSMPD2
SCHEMBL8341808 0.85 ALDH1A1 (0.71) ASAH1ALDH1A1ACER2UGCGSMPD2
SCHEMBL7773484 0.85 ALDH1A1 (0.71) ASAH1ALDH1A1ACER2UGCGSMPD2
SCHEMBL7773486 0.85 ALDH1A1 (0.71) ASAH1ALDH1A1ACER2UGCGSMPD2
SCHEMBL13930311 0.79 ASAH1 (1.00) ASAH1ALDH1A1ACER2UGCGSMPD2
SCHEMBL360960 0.79 ASAH1 (1.00) ASAH1ALDH1A1ACER2UGCGSMPD2
SCHEMBL4239949 0.79 ASAH1 (1.00) ASAH1ALDH1A1ACER2UGCGSMPD2
SCHEMBL8340882 0.79 ASAH1 (1.00) ASAH1ALDH1A1ACER2UGCGSMPD2

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