SCHEMBL6813745

SCHEMBL6813745

O=C(CBr)Oc1ccc(C(=O)CBr)cc1F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.49
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
GSK3B P49841 6/20 0.42
PRSS1 P07477 2/20 0.39
TMPRSS15 P98073 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 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
SCHEMBL1146739 0.83 MAPT (0.48) HTTLMNAMAPK1RAB9APRSS1
SCHEMBL773681 0.82 HTT (0.65) PTPN1HTTLMNAMAPK1RAB9A
SCHEMBL29620834 0.82 HTT (0.65) PTPN1HTTLMNAMAPK1RAB9A
SCHEMBL11124534 0.81 GSK3B (0.46) PTPN1RAB9AGSK3BMEN1ALDH1A1
SCHEMBL16210170 0.79 EPHX2 (0.51) PTPN1HTTLMNAMAPK1RAB9A
SCHEMBL32665368 0.78 PTPN1 (0.46) PTPN1HTTLMNAMAPK1RAB9A
SCHEMBL6816782 0.77 MAPT (0.49) HTTLMNAMAPK1RAB9APRSS1
SCHEMBL3368165 0.77 PTPN1 (0.57) PTPN1HTTLMNAMAPK1RAB9A
SCHEMBL366866 0.77 PTPN1 (0.61) PTPN1RAB9AGSK3BMEN1KMT2A
SCHEMBL29628387 0.77 PTPN1 (0.61) PTPN1RAB9AGSK3BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed