SCHEMBL30628792

SCHEMBL30628792

CC(C)=C(C(=O)O)C(=O)O.CC1(C)OC(=O)CC(=O)O1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.32
ACP1 P24666 2/20 0.31
CDC25B P30305 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL3088270 0.68 FFAR3 (0.46) LMNA
SCHEMBL17818659 0.65 FFAR3 (0.43) LMNA
SCHEMBL6465603 0.62 FFAR3 (0.46) LMNA
SCHEMBL22830362 0.60
SCHEMBL23732645 0.58 PTPN1 (0.36) PTPN1ACP1CDC25BALDH1A1
SCHEMBL2570778 0.58 TSHR (0.40) LMNA
SCHEMBL21873240 0.56 ALDH1A1 (0.35) PTPN1ALDH1A1LMNA
SCHEMBL20487216 0.56 LMNA (0.30) LMNA
SCHEMBL19480524 0.54 HTT (0.39) ALDH1A1
SCHEMBL23733073 0.54 PTPN1 (0.35) PTPN1ALDH1A1

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-116621864-A Boron ester furan derivative compound and preparation method and application thereof 陕西师范大学 2023-08-22 CN disclosed