SCHEMBL7149238

SCHEMBL7149238

COc1cccc(O)c1[C@@H](O)CN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.53
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 3/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ADRA2A P08913 1/20 0.46
ADRA1A P35348 1/20 0.46
ACHE P22303 2/20 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
SCHEMBL7147474 0.89 ADRA2A (0.51) NFKB1BLMPMP22TP53CYP3A4
SCHEMBL7148817 0.83 ALDH1A1 (0.41) NFKB1BLMPMP22MAPK1ALDH1A1
SCHEMBL7147420 0.81 APEX1 (0.47) NFKB1BLMCYP3A4MAPK1KDM4E
SCHEMBL13239923 0.78 TP53 (0.57) TP53CYP3A4MAPK1KDM4EALDH1A1
SCHEMBL7145781 0.77 ADRA2A (0.56) NFKB1BLMPMP22TP53CYP3A4
SCHEMBL9461023 0.77 TP53 (0.55) TP53CYP3A4MAPK1KDM4EALDH1A1
SCHEMBL9204194 0.76 TP53 (0.50) NFKB1BLMPMP22TP53CYP3A4
SCHEMBL1493806 0.76 TP53 (0.59) TP53CYP3A4MAPK1KDM4EALDH1A1
SCHEMBL7153423 0.76 ADRA2A (0.62) NFKB1BLMPMP22TP53ALDH1A1
SCHEMBL4582899 0.76 ADRA2A (0.62) NFKB1BLMPMP22TP53ALDH1A1

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
EP-1322171-A2 TREATMENT OF TRANSGENIC CORN SEEDS WITH PESTICIDES Monsanto Technology LLC (US) 2003-07-02 EP claimed
WO-2002030205-A2 TREATMENT OF TRANSGENIC CORN SEEDS WITH PESTICIDES MONSANTO TECHNOLOGY, LLC (US) 2002-04-18 WO 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