SCHEMBL7147331

SCHEMBL7147331

O=CCc1ccc2c(c1)OC=CO2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
SLC5A2 P31639 1/20 0.32
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CMA1 P23946 1/20 0.30

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
SCHEMBL19500876 0.74 TRPA1 (0.33) SLC5A2
SCHEMBL14615927 0.74 TRPA1 (0.41) CYP1A2MAPTSLC5A2KMT2AL3MBTL1
SCHEMBL7147322 0.73 ALDH1A1 (0.42) CYP1A2CYP3A4MAPTSLC5A2KMT2A
SCHEMBL1468162 0.73 MAPT (0.55) CYP1A2CYP3A4MAPTCMA1
SCHEMBL30194501 0.73 CYP3A4 (0.70) CYP1A2CYP3A4MAPTKMT2ATDP1
SCHEMBL406700 0.73 CYP3A4 (0.70) CYP1A2CYP3A4MAPTKMT2ATDP1
SCHEMBL11854767 0.71 CYP1A2 (0.36) CYP1A2CYP3A4MAPT
SCHEMBL7153474 0.71 ALOX15 (0.49) CYP1A2CYP3A4MAPT
SCHEMBL15435392 0.71 CTNNB1 (0.43) CYP1A2CYP3A4MAPT
SCHEMBL2798568 0.70 ALDH1A1 (0.55) TDP1

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