SCHEMBL8309017

SCHEMBL8309017

C[CH]C1CC/C=C\CCCC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL8185739 0.98 ALDH1A1 (0.37) ALDH1A1ALOX15
SCHEMBL8175508 0.98 ALDH1A1 (0.37) ALDH1A1ALOX15
SCHEMBL8176266 0.95 ALDH1A1 (0.31) ALDH1A1ALOX15
SCHEMBL7994793 0.93 ALDH1A1 (0.39) ALDH1A1ALOX15
SCHEMBL8175521 0.93 ALDH1A1 (0.30) ALDH1A1ALOX15
SCHEMBL8186496 0.91
SCHEMBL8185909 0.87 ALDH1A1 (0.32) ALDH1A1ALOX15
SCHEMBL7992405 0.87
SCHEMBL7980377 0.84 ALDH1A1 (0.41) ALDH1A1ALOX15
SCHEMBL8175951 0.82 ALDH1A1 (0.40) ALDH1A1ALOX15

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-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed