SCHEMBL6897175

SCHEMBL6897175

CCCCCS(=O)(=O)N1[CH]CCCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FKBP1A P62942 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
CA2 P00918 1/20 0.32
MMP8 P22894 2/20 0.31
MMP3 P08254 1/20 0.31
THRB P10828 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL6901404 0.95 FAAH (0.36) FAAHALDH1A1MAPTL3MBTL1MEN1
SCHEMBL6897802 0.85 FAAH (0.40) FAAHALDH1A1MAPTFKBP1ACA2
SCHEMBL1521743 0.81 TSHR (0.33) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL6901401 0.75 FAAH (0.41) FAAHALDH1A1MAPTL3MBTL1MEN1
SCHEMBL1069645 0.75 FAAH (0.41) FAAHALDH1A1MAPTL3MBTL1MEN1
SCHEMBL2645226 0.74 KMT2A (0.31) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL24767441 0.73 FAAH (0.45) FAAHL3MBTL1MEN1KMT2ATDP1
SCHEMBL2817480 0.73 L3MBTL1 (0.42) FAAHL3MBTL1MEN1KMT2ATDP1
SCHEMBL6894873 0.73 L3MBTL1 (0.42) FAAHL3MBTL1MEN1KMT2ATDP1
SCHEMBL7863051 0.72 FAAH (0.43) FAAHL3MBTL1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958052-B1 AMIDOPHOSPHONIUM-SALT-CONTAINING CATALYST FOR HALOGEN-FLUORINE EXCHANGE REACTIONS CLARIANT GMBH (DE) 2002-12-04 EP claimed
JP-2001508359-A 2001-06-26 JP claimed
EP-0958052-A1 AMIDOPHOSPHONIUM-SALT-CONTAINING CATALYST FOR HALOGEN-FLUORINE EXCHANGE REACTIONS Aventis Research & Technologies GmbH & Co. KG (DE) 1999-11-24 EP claimed
WO-1998032532-A1 AMIDOPHOSPHONIUM-SALT-CONTAINING CATALYST FOR HALOGEN-FLUORINE EXCHANGE REACTIONS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-07-30 WO claimed
EP-1070723-B1 Aminophosphonium compounds CLARIANT GMBH (DE) 2004-02-25 EP disclosed
EP-1070724-B1 Mixtures comprising tetrakis(pyrrolidino/piperidino)phosphonium salts CLARIANT GMBH (DE) 2003-03-05 EP disclosed
EP-0958052-B1 AMIDOPHOSPHONIUM-SALT-CONTAINING CATALYST FOR HALOGEN-FLUORINE EXCHANGE REACTIONS CLARIANT GMBH (DE) 2002-12-04 EP disclosed
EP-0878461-B1 Process for the preparation of 3,5-difluoroaniline CLARIANT GMBH (DE) 2002-04-10 EP disclosed
EP-0923508-B1 PROCESS FOR PREPARING FLUORINE-CONTAINING COMPOUNDS AVENTIS RES & TECH GMBH & CO (DE) 2001-11-14 EP disclosed
EP-1070724-A1 Mixtures comprising tetrakis(pyrrolidino/piperidino)phosphonium salts Clariant GmbH (DE) 2001-01-24 EP disclosed
EP-0958052-A1 AMIDOPHOSPHONIUM-SALT-CONTAINING CATALYST FOR HALOGEN-FLUORINE EXCHANGE REACTIONS Aventis Research & Technologies GmbH & Co. KG (DE) 1999-11-24 EP disclosed
EP-0923508-A2 PROCESS FOR PREPARING FLUORINE-CONTAINING COMPOUNDS Aventis Research & Technologies GmbH & Co. KG (DE) 1999-06-23 EP disclosed
EP-0878461-A2 Process for the preparation of 3,5-difluoroaniline Clariant GmbH (DE) 1998-11-18 EP disclosed
WO-1998032532-A1 AMIDOPHOSPHONIUM-SALT-CONTAINING CATALYST FOR HALOGEN-FLUORINE EXCHANGE REACTIONS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-07-30 WO disclosed
WO-1998005610-A2 PROCESS FOR PREPARING FLUORINE-CONTAINING COMPOUNDS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-02-12 WO disclosed