SCHEMBL7763450

SCHEMBL7763450

C=C(COCCCCCCBr)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
PTPN1 P18031 1/20 0.33
GSK3B P49841 1/20 0.33
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
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL7766581 1.00 MAOA (0.38) MAOAMAOBTDP1SMN1; SMN2MEN1
SCHEMBL3959529 0.98 MAOA (0.39) MAOAMAOBTDP1SMN1; SMN2HDAC1
SCHEMBL7768665 0.95 MAOA (0.39) MAOAMAOBTDP1SMN1; SMN2HDAC1
SCHEMBL8945483 0.85 CES2 (0.44) LMNA
SCHEMBL21596565 0.85 CES2 (0.44) LMNA
SCHEMBL7061572 0.85 CES2 (0.44) LMNA
SCHEMBL21596569 0.85 CES2 (0.44) LMNA
SCHEMBL7768633 0.84 MAOA (0.39) MAOAMAOBTDP1SMN1; SMN2HDAC1
SCHEMBL27591320 0.83 LTA4H (0.42) LMNA
SCHEMBL7766571 0.82 MAOA (0.40) MAOAMAOBTDP1SMN1; SMN2HDAC1

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-0670184-B1 Method of demineralizing water or an aqueous solution MITSUBISHI CHEM CORP (JP) 2001-09-05 EP disclosed
US-5518627-A DEMINERALIZATION, BASIC ANION EXCHANGE RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-21 US disclosed
EP-0670184-A2 Method of demineralizing water or an aqueous solution Mitsubishi Chemical Corporation (JP) 1995-09-06 EP disclosed