SCHEMBL8760210

SCHEMBL8760210

CC(=O)Cc1ccc(OCP(=O)(OC(C)C)OC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
PTPN1 P18031 1/20 0.38
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 1/20 0.36
CNR1 P21554 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL8758984 0.81 POLB (0.47) POLBPTPN1LMNATDP1KDM4E
SCHEMBL9063248 0.80 PTPN1 (0.58) POLBPTPN1KDM4ECYP1A2ADRB2
SCHEMBL8759552 0.78 SLC6A4 (0.51)
SCHEMBL8759406 0.77 KDM4E (0.50) POLBLMNAKDM4ECYP1A2CYP2D6
SCHEMBL12377127 0.74 POLB (0.64) POLBLMNATDP1KDM4ECYP1A2
SCHEMBL10839377 0.74 POLB (1.00) POLBLMNAKDM4ECYP1A2GLA
SCHEMBL8759510 0.74 ALDH1A3 (0.51) LMNAKDM4ESMN1; SMN2
SCHEMBL8758970 0.73 POLB (0.46) POLBPTPN1LMNAKDM4ECYP1A2
SCHEMBL8635260 0.72 POLB (0.45) POLBPTPN1LMNAKDM4ECYP1A2
SCHEMBL8634980 0.72 CYP2C9 (0.46) POLBPTPN1SMN1; SMN2ADRB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652884-B1 PHOSPHONATED ARYLETHANOLAMINE COMPOUNDS WITH ANTI-HYPERGLYCEMIC AND/OR ANTI-OBESITY ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-05-28 EP disclosed
US-5519006-A Phosphonated arylethanolamine compounds with anti-hyperglycemic and/or anti-obesity activity SMITHKLINE BEECHAM PLC (GB) 1996-05-21 US disclosed