SCHEMBL3959529

SCHEMBL3959529

C=C(COCCCCBr)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
PTPN1 P18031 1/20 0.34
GSK3B P49841 1/20 0.34
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
MGMT P16455 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
KCNA3 P22001 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL7763450 0.98 MAOA (0.38) MAOAMAOBTDP1SMN1; SMN2HDAC1
SCHEMBL7766581 0.98 MAOA (0.38) MAOAMAOBTDP1SMN1; SMN2HDAC1
SCHEMBL7768665 0.96 MAOA (0.39) MAOAMAOBTDP1SMN1; SMN2HDAC1
SCHEMBL7768633 0.86 MAOA (0.39) MAOAMAOBTDP1SMN1; SMN2HDAC1
SCHEMBL27591320 0.84 LTA4H (0.42)
SCHEMBL7766571 0.84 MAOA (0.40) MAOAMAOBTDP1SMN1; SMN2HDAC1
SCHEMBL7061572 0.83 CES2 (0.44)
SCHEMBL21596569 0.83 CES2 (0.44)
SCHEMBL21596565 0.83 CES2 (0.44)
SCHEMBL8945483 0.83 CES2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7291882-A None JP disclosed
EP-1077207-B1 Production process for hydroxyalkylester NIPPON CATALYTIC CHEM IND (JP) 2009-07-15 EP disclosed
US-6414182-B1 REACTING CARBOXYLIC ACID AND ALKYLENE OXIDE IN PRESENCE OF CATALYST, UNDER CONDITIONS WHERE MOLAR CONCENTRATION OF ALKYLENE OXIDE IN REACTION LIQUID IS KEPT GREATER THAN THAT OF ACID THROUGHOUT REACTION NIPPON SHOKUBAI CO., LTD. (JP) 2002-07-02 US disclosed
US-6410656-B1 STYRENESULFONIC ACID POLYMER MITSUBISHI CHEMICAL CORPORATION (JP) 2002-06-25 US disclosed
EP-0670184-B1 Method of demineralizing water or an aqueous solution MITSUBISHI CHEM CORP (JP) 2001-09-05 EP disclosed
EP-1077207-A2 Production process for hydroxyalkylester Nippon Shokubai Co., Ltd. (JP) 2001-02-21 EP disclosed
US-5954965-A FLOWING WATER AT HIGH SPACE VELOCITY THROUGH WATER TREATMENT SYSTEM UTILIZING A SPECIFIC STRONGLY BASIC ANION EXCHANGE RESIN TO IMMEDIATELY PRODUCE TASTELESS AND ODORLESS PURE WATER MITSUBISHI CHEMICAL CORPORATION (JP) 1999-09-21 US disclosed
EP-0919570-A1 CATION EXCHANGERS OR CHELATING AGENTS AND PROCESS FOR THE PREPARATION THEREOF Mitsubishi Chemical Corporation (JP) 1999-06-02 EP disclosed
US-5518627-A DEMINERALIZATION, BASIC ANION EXCHANGE RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-21 US disclosed
JP-H07291882-A STYRENE DERIVATIVE AND ITS PRODUCTION MITSUBISHI CHEM CORP 1995-11-07 JP disclosed
EP-0670184-A2 Method of demineralizing water or an aqueous solution Mitsubishi Chemical Corporation (JP) 1995-09-06 EP disclosed