SCHEMBL28525520

SCHEMBL28525520

CC(C)(O)C(C)(C)O.CC(C)(O)C(C)(C)O.OB(O)c1ccc(B(O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.57
LPL P06858 3/20 0.57
LIPG Q9Y5X9 3/20 0.57
ENPP2 Q13822 6/20 0.52
CA1 P00915 4/20 0.50
MGLL Q99685 2/20 0.50
TSHR P16473 1/20 0.50
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
KDM4E B2RXH2 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL28470750 1.00 CA2 (0.57) CA2LPLLIPGENPP2CA1
SCHEMBL29266012 0.92 CA2 (0.58) CA2LPLLIPGENPP2CA1
Tolyl Boronic Acid SCHEMBL21180370 0.90 CA2 (0.76) CA2LPLLIPGENPP2CA1
SCHEMBL17476000 0.90 ENPP2 (0.71) CA2LPLLIPGENPP2CA1
SCHEMBL5510327 0.88 TRPV1 (0.59) CA2LPLLIPGENPP2CA1
SCHEMBL15533297 0.88 CA2 (0.46) CA2LPLLIPGENPP2CA1
SCHEMBL28435402 0.88 CA2 (0.46) CA2LPLLIPGENPP2CA1
SCHEMBL28562283 0.88 CA2 (0.46) CA2LPLLIPGENPP2CA1
Phenylboronic Acid SCHEMBL607952 0.87 ENPP2 (0.70) CA2LPLLIPGENPP2CA1
SCHEMBL25413876 0.84 MGLL (0.79) CA2LPLLIPGENPP2CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214494-B Spiral supramolecular material and preparation method and application thereof 吉林大学 2022-05-31 CN disclosed
CN-113314747-B Sulfonated poly biphenyl proton exchange membrane with nano phase separation structure and preparation method thereof 上海大学 2022-04-22 CN disclosed
CN-113994013-A Polycyclic aromatic bridges for molecular electronic sensors 罗斯威尔生命技术公司 2022-01-28 CN disclosed
CN-113314747-A Sulfonated poly biphenyl proton exchange membrane with nano phase separation structure and preparation method thereof 上海大学 2021-08-27 CN disclosed
CN-113214494-A Spiral supramolecular material and preparation method and application thereof 吉林大学 2021-08-06 CN disclosed
CN-112384517-A Heteroaryl compounds and uses thereof 新旭生技股份有限公司 2021-02-19 CN disclosed