SCHEMBL7169372

SCHEMBL7169372

C=CCC(Cc1ccccc1)NCC(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADRB2 P07550 7/20 0.45
ADRB3 P13945 5/20 0.44
ADRB1 P08588 1/20 0.44
AOC3 Q16853 3/20 0.44
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6930122 1.00 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EL3MBTL1ADRB2ADRB3
SCHEMBL6930120 1.00 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EL3MBTL1ADRB2ADRB3
SCHEMBL7152484 0.80 ADRB2 (0.61) KDM4EL3MBTL1ADRB2ADRB3ADRB1
SCHEMBL7152487 0.80 ADRB2 (0.61) KDM4EL3MBTL1ADRB2ADRB3ADRB1
SCHEMBL7153108 0.78 ADRB2 (0.56) KDM4EL3MBTL1ADRB2ADRB3ADRB1
SCHEMBL7153925 0.78 ADRB2 (0.52) KDM4EL3MBTL1ADRB2ADRB3ADRB1
SCHEMBL7153113 0.78 ADRB2 (0.56) KDM4EL3MBTL1ADRB2ADRB3ADRB1
SCHEMBL7153921 0.78 ADRB2 (0.52) KDM4EL3MBTL1ADRB2ADRB3ADRB1
SCHEMBL7180775 0.76 EPHX1 (0.44) SMN1; SMN2L3MBTL1CYP2C19
SCHEMBL7145454 0.75 ADRB3 (0.58) SMN1; SMN2KDM4EL3MBTL1ADRB2ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 US claimed
US-20030143701-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-31 US disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 US disclosed
EP-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0654534-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2000-03-01 EP disclosed
EP-0939134-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-01 EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed