SCHEMBL7148550

SCHEMBL7148550

COc1ccc([C@@H](O)CN)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.75
BLM P54132 3/20 0.73
PMP22 Q01453 1/20 0.73
ADRA2A P08913 2/20 0.57
ADRA1A P35348 2/20 0.57
PPARG P37231 1/20 0.57
PPARD Q03181 1/20 0.57
PPARA Q07869 1/20 0.57
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
ACHE P22303 2/20 0.53
TAAR1 Q96RJ0 3/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
APEX1 P27695 2/20 0.52
RECQL P46063 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL1966507 1.00 NFKB1 (0.75) NFKB1BLMPMP22ADRA2AADRA1A
SCHEMBL15921910 1.00 NFKB1 (0.75) NFKB1BLMPMP22ADRA2AADRA1A
SCHEMBL29633151 1.00 NFKB1 (0.75) NFKB1BLMPMP22ADRA2AADRA1A
Hydrochloric Acid SCHEMBL8904803 0.98 BLM (0.76) NFKB1BLMPMP22ADRA2AADRA1A
SCHEMBL7916052 0.86 NFKB1 (0.61) NFKB1BLMPMP22ADRA2AADRA1A
Normetanephrine SCHEMBL4949341 0.86 NFKB1 (1.00) NFKB1BLMPMP22ADRA2AADRA1A
Normetanephrine Hydrochloride SCHEMBL7153624 0.86 NFKB1 (0.76) NFKB1BLMPMP22ADRA2AADRA1A
SCHEMBL31347553 0.86 NFKB1 (0.66) NFKB1BLMPMP22ADRA2AADRA1A
Normetanephrine Hydrochloride SCHEMBL11573078 0.86 NFKB1 (0.76) NFKB1BLMPMP22ADRA2AADRA1A
Normetanephrine SCHEMBL137755 0.86 NFKB1 (1.00) NFKB1BLMPMP22ADRA2AADRA1A

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-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