SCHEMBL7027357

SCHEMBL7027357

O=C1CCc2cc(Cl)ccc2O1.O=Cc1coc2c(Br)cc(Br)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 12/20 0.60
▸ MAOA P21397 4/20 0.36
▸ MAOB P27338 4/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTPN2 P17706 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
SCHEMBL5358403 0.78 PTPN1 (1.00) PTPN1MAOAMAOBMEN1POLB
SCHEMBL29955707 0.72 PTPN1 (0.72) PTPN1MAOAMAOBMEN1POLB
SCHEMBL1984098 0.72 AHR (0.43) MAOAMAOB
SCHEMBL7025065 0.67 PTPN1 (0.70) PTPN1MAOAMAOBMEN1POLB
SCHEMBL23887130 0.65 PTPN1 (0.72) PTPN1MAOAMAOBMEN1POLB
SCHEMBL5363245 0.65 PTPN1 (1.00) PTPN1MAOAMAOBPOLBKMT2A
SCHEMBL4596158 0.64 AHR (0.43) —
SCHEMBL30307600 0.62 PTPN1 (0.62) PTPN1MAOAMAOBMEN1POLB
SCHEMBL5708656 0.62 PTPN1 (1.00) PTPN1MAOAMAOBMEN1POLB
SCHEMBL29958044 0.62 PTPN1 (0.77) PTPN1MAOAMAOBMEN1POLB

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-1322308-A2 DEVICES AND METHODS FOR MANAGEMENT OF INFLAMMATION Durect Corporation (US) 2003-07-02 — — EP disclosed
WO-2002028366-A9 DEVICES AND METHODS FOR MANAGEMENT OF INFLAMMATION DURECT CORP (US) 2003-02-13 — — WO disclosed
WO-2002028366-A2 DEVICES AND METHODS FOR MANAGEMENT OF INFLAMMATION DURECT CORPORATION (US) 2002-04-11 — — WO disclosed
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