SCHEMBL7144089

SCHEMBL7144089

CCOc1ccc([C@@H](O)CN)c(OCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.50
ADRA1A P35348 1/20 0.50
KDM4E B2RXH2 2/20 0.49
NQO1 P15559 1/20 0.43
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
BRCA1 P38398 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL7152597 0.86 ADRA1A (0.63) ADRA2AADRA1AKDM4ENQO1TSHR
SCHEMBL7148830 0.83 ADRA2A (0.46) ADRA2AADRA1ANQO1TSHRTDP1
SCHEMBL7152543 0.83 TAAR1 (0.44) ADRA2AADRA1AKDM4ETSHRTDP1
SCHEMBL7147289 0.79 ADRA2A (0.50) ADRA2AADRA1AKDM4ENQO1TSHR
SCHEMBL13877554 0.79 KDM4E (0.47) KDM4ENQO1TSHRTDP1KMT2A
SCHEMBL9946005 0.78 KDM4E (0.50) KDM4ENQO1TSHRTDP1KMT2A
SCHEMBL11594840 0.78 SMN1; SMN2 (0.51) ADRA2AADRA1AKDM4ENQO1TSHR
Hydrochloric Acid SCHEMBL4230379 0.77 KDM4E (0.46) ADRA2AKDM4ENQO1TSHRTDP1
Hydrochloric Acid SCHEMBL27777951 0.77 KDM4E (0.46) ADRA2AKDM4ENQO1TSHRTDP1
SCHEMBL7153263 0.77 ADRA1A (0.75) ADRA2AADRA1ATSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 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
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