SCHEMBL2051736

SCHEMBL2051736

CC1CC(=O)C2=C(CCCC/C=C\CCC2)C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2671808 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2671810 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2672093 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2046272 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2047253 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2047257 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4113631 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2044296 0.86 KMT2A (0.34)
SCHEMBL1660610 0.86 KMT2A (0.34)
SCHEMBL1659708 0.86 KMT2A (0.34)

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-2247564-B1 SUBSTITUTED CYCLOHEXENONES FIRMENICH & CIE (CH) 2011-06-29 EP disclosed