SCHEMBL4566575

SCHEMBL4566575

O=[PH](O)C(F)(F)c1cc2cc(CCO)ccc2cc1Br

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.44
PTPRC P08575 1/20 0.44
PTPN2 P17706 2/20 0.36
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX5 P09917 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
BACE1 P56817 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL3264596 0.86 PTPN1 (0.46) PTPN1PTPRCPTPN2
SCHEMBL4414758 0.79 PTPN1 (0.70) PTPN1PTPRCPTPN2
SCHEMBL4563377 0.77 PTPN1 (0.41) PTPN1PTPRC
SCHEMBL4566574 0.74 UGT2B7 (0.43) PTPN1PTPRCPTPN2
SCHEMBL2311805 0.69 KDM4E (0.54) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL2312808 0.69 KDM4E (0.54) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL5610449 0.69 KDM4E (0.58) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL15095636 0.68 PTPN1 (0.73) PTPN1PTPRCPTPN2
SCHEMBL1639508 0.66 KDM4E (0.47) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL2298161 0.66 MAPT (0.42) KDM4EALDH1A1ALOX5GAAMAPT

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-2114971-A1 FUSED AROMATIC PTP-1B INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-11-11 EP disclosed
WO-2008089581-A1 FUSED AROMATIC PTP-1B INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-07-31 WO disclosed