SCHEMBL6157769

SCHEMBL6157769

CCCCCC(N)C(C)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.58
OPRM1 P35372 1/20 0.56
CYP2D6 P10635 2/20 0.54
TP53 P04637 2/20 0.54
GMNN O75496 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
THPO P40225 1/20 0.54
MTOR P42345 1/20 0.54
BLM P54132 1/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
CETP P11597 1/20 0.54
HTT P42858 1/20 0.54
UBE2N P61088 1/20 0.54
LAP3 P28838 2/20 0.45
TRPV1 Q8NER1 1/20 0.42
TRPA1 O75762 1/20 0.42

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
SCHEMBL3786621 0.98 SPHK1 (0.61) SPHK1OPRM1CYP2D6TP53GMNN
SCHEMBL8369324 0.98 SPHK1 (0.61) SPHK1OPRM1CYP2D6TP53GMNN
SCHEMBL4891618 0.98 SPHK1 (0.61) SPHK1OPRM1CYP2D6TP53GMNN
SCHEMBL460570 0.98 SPHK1 (0.61) SPHK1OPRM1CYP2D6TP53GMNN
SCHEMBL1742708 0.98 SPHK1 (0.61) SPHK1OPRM1CYP2D6TP53GMNN
Hydrochloric Acid SCHEMBL11187511 0.95 SPHK1 (0.59) SPHK1OPRM1CYP2D6TP53GMNN
Hydrochloric Acid SCHEMBL11461378 0.95 SPHK1 (0.59) SPHK1OPRM1CYP2D6TP53GMNN
SCHEMBL18923235 0.92
SCHEMBL18109577 0.92
SCHEMBL15241781 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116709-A1 Process for producing optically active n-aryl-1-amino-2-propanol derivatives KANEKA CORPORATION (JP) 2004-06-17 US claimed
EP-1367053-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-ARYL-1-AMINO-2-PROPANOL DERIVATIVES KANEKA CORPORATION (JP) 2003-12-03 EP claimed
WO-2014059593-A1 POLYURETHANE BASED SYNTHETIC LEATHERS COMPRISING NANOPARTICLES AND HAVING IMPROVED PEEL STRENGTH DOW GLOBAL TECHNOLOGIES LLC (US) 2014-04-24 WO disclosed
EP-1367053-A4 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-ARYL-1-AMINO-2-PROPANOL DERIVATIVES KANEKA CORP (JP) 2005-08-03 EP disclosed
US-20040116709-A1 Process for producing optically active n-aryl-1-amino-2-propanol derivatives KANEKA CORPORATION (JP) 2004-06-17 US disclosed
US-20040116709-A1 Process for producing optically active n-aryl-1-amino-2-propanol derivatives KANEKA CORPORATION (JP) 2004-06-17 US disclosed
US-20040116709-A1 Process for producing optically active n-aryl-1-amino-2-propanol derivatives KANEKA CORPORATION (JP) 2004-06-17 US disclosed
EP-1367053-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-ARYL-1-AMINO-2-PROPANOL DERIVATIVES KANEKA CORPORATION (JP) 2003-12-03 EP disclosed
EP-1367053-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-ARYL-1-AMINO-2-PROPANOL DERIVATIVES KANEKA CORPORATION (JP) 2003-12-03 EP disclosed
WO-2002070482-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-ARYL-1-AMINO-2-PROPANOL DERIVATIVES KANEKA CORPORATION (JP) 2002-09-12 WO disclosed
EP-0325977-A1 Phosphite amine lubricant additives THE ELCO CORPORATION (US) 1989-08-02 EP disclosed
US-4758547-A Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1988-07-19 US disclosed
US-4602089-A Process for preparing purine compounds NEWPORT PHARMACEUTICALS, INC. (US) 1986-07-22 US disclosed
EP-0126813-A1 Process for preparing imidazole compounds Newport Pharmaceuticals International, Inc. (US) 1984-12-05 EP disclosed
US-4451478-A IMMUNOLOGY, ACTIVATORS NEWPORT PHARMACEUTICALS INTERNATIONAL, INC. (US) 1984-05-29 US disclosed