SCHEMBL7149403

SCHEMBL7149403

COC(=O)c1cccc(-c2ccc(CC(C)=O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
ERN1 O75460 1/20 0.53
PLAU P00749 4/20 0.53
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
PGGT1B P53609 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.51
MGLL Q99685 1/20 0.51
DHFR P00374 1/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
PLAT P00750 2/20 0.48
PLG P00747 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48

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
SCHEMBL7177442 0.88 NR1H4 (0.60) CA12CA9CA1CA2ERN1
SCHEMBL10243162 0.86 CA12 (0.62) CA12CA9CA1CA2ERN1
SCHEMBL10243230 0.86 CA12 (0.62) CA12CA9CA1CA2ERN1
SCHEMBL7177052 0.85 CA12 (0.52) CA12CA9CA1CA2ERN1
SCHEMBL2569067 0.85 LOXL2 (0.71) CA12CA9CA1CA2ERN1
SCHEMBL6481471 0.85 CA12 (0.61) CA12CA9CA1CA2ERN1
SCHEMBL27715902 0.84 CA12 (0.71) CA12CA9CA1CA2ERN1
SCHEMBL259 0.84 CA12 (0.59) CA12CA9CA1CA2ERN1
SCHEMBL8872555 0.84 CA12 (0.59) CA12CA9CA1CA2ERN1
SCHEMBL27983598 0.83 LOXL2 (0.59) CA1CA2LOXL2CYP4F2CYP4A11

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