SCHEMBL27672932

SCHEMBL27672932

CC1=CCCC(C)(C)C1CCC(C)C=O.CCCCCCCCCC(C)C=O.CSC(C)CC=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4773549 0.92 ALOX15 (0.35) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL27672934 0.85 ALOX15 (0.33) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL933394 0.81 ALOX15 (0.39) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL16268485 0.74 ALOX15 (0.37) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL4773561 0.71 ALOX15 (0.37) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL4078385 0.69 ALOX15 (0.40) ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL3843837 0.62 ADH1B (0.54) —
SCHEMBL3844799 0.62 ADH1B (0.54) —
SCHEMBL13587031 0.62 ADH1B (0.54) —
SCHEMBL3851159 0.62 ADH1B (0.54) —

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
CN-1893910-A Cyclic siloxane compositions for active ingredient release GEN ELECTRIC (US) 2007-01-10 — — CN claimed
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