SCHEMBL7146977

SCHEMBL7146977

OCc1cc(C2CO2)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.47
F2 P00734 1/20 0.47
CTSG P08311 1/20 0.43
USP28 Q96RU2 1/20 0.41
USP25 Q9UHP3 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTT P42858 1/20 0.41
CCR5 P51681 2/20 0.40
PTGER1 P34995 2/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
APP P05067 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4370495 0.84 PDE4A (0.47) HTR2CHTR2BAPPTSHR
SCHEMBL4288305 0.81 STAT3 (0.40) HTR1ADRD2HTTCCR5HTR2C
SCHEMBL13898921 0.81 FFAR4 (0.49) HTTHTR2CHTR2BAPPALDH1A1
SCHEMBL10464043 0.81 S1PR5 (0.48) HTR1AHTR2CHTR2BTSHR
SCHEMBL8768747 0.81 MRGPRX4 (0.51) HTTHTR2CHTR2BTSHR
SCHEMBL9574268 0.80 FOLH1 (0.58) PTGER1APPALDH1A1
SCHEMBL7526730 0.78 TDP1 (0.50) ELANEF2CTSGCCR5ALDH1A1
SCHEMBL6539328 0.78 TDP1 (0.50) ELANEF2CTSGCCR5ALDH1A1
SCHEMBL3987261 0.78 PARP1 (0.48) HTTAPPLMNAALDH1A1
SCHEMBL7094538 0.78 PARP1 (0.48) HTTAPPLMNAALDH1A1

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 12 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
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