SCHEMBL8800957

SCHEMBL8800957

CCCCN(CCCC)C(C(=O)O)c1cc(C)c(N)c(CC)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CXCR3 P49682 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
SCHEMBL9571800 0.86 ALDH1A1 (0.37) ALDH1A1MAPTHTTCXCR3
SCHEMBL8801972 0.82 ALDH1A1 (0.38) ALDH1A1MAPTHTT
SCHEMBL26488286 0.75 GPR84 (0.39) ALDH1A1MAPT
SCHEMBL26488291 0.75 GPR84 (0.39) ALDH1A1MAPT
SCHEMBL8809462 0.75 HTT (0.41) ALDH1A1MAPTHTT
SCHEMBL9571798 0.69 ALDH1A1 (0.35) ALDH1A1MAPTHTT
SCHEMBL23406351 0.68 HTT (0.46) ALDH1A1MAPTHTT
SCHEMBL7647459 0.68 POLB (0.36) HTT
SCHEMBL13070265 0.67 ALDH1A1 (0.37) ALDH1A1MAPTHTT
SCHEMBL8801812 0.66 GAA (0.48) ALDH1A1MAPTHTT

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
EP-0575056-B1 Preparation of polycyclic dyes BASF AG (DE) 1997-09-17 EP disclosed
EP-0575056-A1 Preparation of polycyclic dyes ZENECA LIMITED (GB) 1993-12-22 EP disclosed