SCHEMBL28356209

SCHEMBL28356209

CCCCCCC=CC1(C(O)CC)CC(=O)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
PRKCA P17252 13/20 0.36
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
CDC25C P30307 1/20 0.34
LPAR1 Q92633 1/20 0.34
FABP3 P05413 3/20 0.33

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
SCHEMBL28930529 0.76 ALDH1A1 (0.44) ALDH1A1TSHRPRKCACDC25ACDC25B
SCHEMBL30345718 0.76 ALDH1A1 (0.48) ALDH1A1TSHRPRKCACDC25ACDC25B
SCHEMBL1352239 0.76 ALDH1A1 (0.48) ALDH1A1TSHRPRKCACDC25ACDC25B
SCHEMBL3465216 0.76 ALDH1A1 (0.44) ALDH1A1TSHRPRKCACDC25ACDC25B
SCHEMBL28670674 0.73 ALDH1A1 (0.42) ALDH1A1TSHRPRKCACDC25ACDC25B
SCHEMBL11146515 0.73 ALDH1A1 (0.39) ALDH1A1TSHRPRKCACDC25ACDC25B
SCHEMBL28356207 0.72 ALDH1A1 (0.39) ALDH1A1TSHRPRKCACDC25ACDC25B
SCHEMBL1353670 0.72 ALDH1A1 (0.41) ALDH1A1TSHRPRKCALPAR1
SCHEMBL22490568 0.68 FAAH (0.44) ALDH1A1TSHRCDC25ACDC25BCDC25C
SCHEMBL22490567 0.68 FAAH (0.44) ALDH1A1TSHRCDC25ACDC25BCDC25C

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-109251251-B Processing method of composite modified starch-based degradable material 江南大学 2020-01-07 CN disclosed