SCHEMBL28449643

SCHEMBL28449643

CCOC(=O)C(C)SC(C)CC(=O)C1C(C)=CCCC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL11032438 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11854217 0.80 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL3420655 0.80 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL1404280 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL1891917 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL13896957 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11855453 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL24715086 0.75 ALDH1A1 (0.38) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL17036608 0.75 MEN1 (0.38) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL10648071 0.75 ALDH1A1 (0.48) ALDH1A1CYP3A4ALOX15TDP1

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
CN-113728136-A Freshening compositions containing alkoxylated phenols 宝洁公司 2021-11-30 — — CN disclosed
CN-107001993-B Detergent for clothes 狮王株式会社 2020-09-01 — — CN disclosed
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