SCHEMBL7956736

SCHEMBL7956736

COc1cccc2c(COCCN(c3ccccc3)c3ccccc3)coc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 2/20 0.36
PTGIR P43119 8/20 0.35
TBXA2R P21731 7/20 0.35
SMPD1 P17405 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAOA P21397 1/20 0.33
RAB9A P51151 1/20 0.33
BCHE P06276 1/20 0.32
HTR7 P34969 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
SCHEMBL7963020 0.83 PTGIR (0.54) PSMB8PSMB5ALDH1A1HPGDPTGIR
SCHEMBL7963254 0.80 PTGIR (0.47) PSMB8PSMB5ALDH1A1LMNAMEN1
SCHEMBL7958890 0.73 PSMB8 (0.43) PSMB8PSMB5ALDH1A1LMNAMEN1
SCHEMBL806348 0.72 ALDH1A1 (0.54) PSMB8PSMB5ALDH1A1LMNAMEN1
SCHEMBL7953106 0.70 ALDH1A1 (0.53) PSMB8PSMB5ALDH1A1LMNAMEN1
SCHEMBL7962995 0.70 ALDH1A1 (0.49) PSMB8PSMB5ALDH1A1LMNAMEN1
SCHEMBL7958885 0.70 ALDH1A1 (0.45) PSMB8PSMB5ALDH1A1LMNAMEN1
SCHEMBL7948483 0.69 PSMB8 (0.56) PSMB8PSMB5ALDH1A1LMNAMEN1
SCHEMBL4136821 0.68 MEN1 (0.46) PSMB8PSMB5ALDH1A1LMNAMEN1
SCHEMBL5234354 0.68 ALDH1A1 (0.46) PSMB8PSMB5ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed