SCHEMBL8780429

SCHEMBL8780429

CCCCCCCc1ccc(-c2ccc(/C=C/C(=O)n3nnc4ccccc43)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ASAH1 Q13510 2/20 0.50
PLA2G4A P47712 1/20 0.49
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CYSLTR2 Q9NS75 2/20 0.45
CYSLTR1 Q9Y271 2/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
TRPA1 O75762 1/20 0.44
TRPM2 O94759 1/20 0.44

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
SCHEMBL8780426 1.00 MAPT (0.59) MAPTNPSR1ASAH1PLA2G4AKDM4E
SCHEMBL27508279 0.86 GAA (0.60) MAPTNPSR1ASAH1PLA2G4AHPGD
SCHEMBL8780417 0.85 GAA (0.61) MAPTNPSR1ASAH1PLA2G4ANPC1
SCHEMBL8780419 0.85 GAA (0.61) MAPTNPSR1ASAH1PLA2G4ANPC1
SCHEMBL8780369 0.84 GAA (0.63) MAPTNPSR1ASAH1PLA2G4ANPC1
SCHEMBL8780370 0.84 GAA (0.63) MAPTNPSR1ASAH1PLA2G4ANPC1
SCHEMBL8780473 0.82 MGAM (0.65) MAPTNPSR1ASAH1PLA2G4AKDM4E
SCHEMBL7331993 0.79 ALDH1A1 (0.43) MAPTKDM4ENPC1ALDH1A1HPGD
SCHEMBL7331999 0.79 ALDH1A1 (0.43) MAPTKDM4ENPC1ALDH1A1HPGD
SCHEMBL7330856 0.78 ALDH1A1 (0.44) MAPTKDM4ENPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed