SCHEMBL6660129

SCHEMBL6660129

O=C(CCCCCCCCCCCCCCc1ccccc1)Cc1ccco1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CES1 P23141 7/20 0.50
FAAH O00519 5/20 0.50
NCEH1 Q6PIU2 1/20 0.50
ALOX5 P09917 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
DAGLA Q9Y4D2 2/20 0.48
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL25273425 0.80 GAA (0.47) MAPTCES1ALDH1A1
SCHEMBL25258554 0.80 GAA (0.47) MAPTCES1ALDH1A1
SCHEMBL25259291 0.80 GAA (0.47) MAPTCES1ALDH1A1
SCHEMBL25260601 0.80 GAA (0.47) MAPTCES1ALDH1A1
SCHEMBL25262746 0.80 GAA (0.47) MAPTCES1ALDH1A1
SCHEMBL4382935 0.79 ALDH1A1 (0.54) MAPTALOX5ALDH1A1
SCHEMBL4369185 0.79 ALDH1A1 (0.54) MAPTALOX5ALDH1A1
SCHEMBL5634683 0.79 ALDH1A1 (0.54) MAPTALOX5ALDH1A1
SCHEMBL1256721 0.79 ALDH1A1 (0.51) MAPTCES1ALDH1A1
SCHEMBL4379184 0.79 ALDH1A1 (0.54) MAPTALOX5ALDH1A1

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-1041954-B1 HAIR TREATMENT PRODUCTS HENKEL KGAA (DE) 2004-06-30 EP claimed