SCHEMBL28909536

SCHEMBL28909536

CC(C)C(=O)C#CCCCCO

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 3/20 0.31
HMGCR P04035 1/20 0.31
SELP P16109 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL28909520 0.85
SCHEMBL31390449 0.82 PTPN7 (0.50) PTPN7HMGCRSELPKDM4EALDH1A1
SCHEMBL995365 0.81 HMGCR (0.41) PTPN7HMGCRKDM4EALDH1A1MAPT
SCHEMBL31390455 0.79
SCHEMBL28909560 0.79 TSHR (0.36)
SCHEMBL2121938 0.76 GRIK1 (0.35) CYP3A4
SCHEMBL25762162 0.75
SCHEMBL28909548 0.73 KDM4E (0.48) KDM4EALDH1A1
SCHEMBL15548365 0.73 TBXAS1 (0.43) PTPN7HMGCRSELPKDM4EALDH1A1
SCHEMBL9336130 0.71 TBXAS1 (0.46) PTPN7HMGCRSELPKDM4EALDH1A1

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-115322211-B Preparation method of alkenyl substituted-alpha-hydroxy borate compound 香港科技大学深圳研究院 2025-02-25 CN disclosed
CN-115322211-A Preparation method of alkenyl-substituted-alpha-hydroxy borate compound 香港科技大学深圳研究院 2022-11-11 CN disclosed