SCHEMBL28634644

SCHEMBL28634644

CCCCCCCCOC=C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
CA9 Q16790 8/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
NAAA Q02083 1/20 0.39
RECQL P46063 2/20 0.38
TSHR P16473 2/20 0.38
CES2 O00748 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 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
SCHEMBL5136181 0.98
SCHEMBL2285674 0.90 FAAH (0.48) LPAR3LPAR1LPAR2RECQLBLM
Phosphoric Acid SCHEMBL5574478 0.83 LPAR3 (0.55) LPAR3LPAR1LPAR2
Phosphonic Acid SCHEMBL27861835 0.81 ATM (0.36) CA1CA2TSHRHPGDHCAR2
SCHEMBL9494773 0.79 CA1 (0.40) CA1CA2CA9CA12CA7
Hexyl Formate SCHEMBL28243613 0.78 CA1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL29001883 0.77 TSHR (0.36) CA1CA2CA9CA12CA7
SCHEMBL6299239 0.77 TSHR (0.36) CA1CA2CA9CA12CA7
Hexyl Formate SCHEMBL59493 0.73
SCHEMBL55804 0.73 TSHR (0.46) CA1CA2CA9CA12CA7

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-113201149-B Modified lignin compound, high-toughness lignin-based polymer composite material, preparation method and application 南京林业大学 2022-12-02 CN disclosed
CN-113201149-A Modified lignin compound, high-toughness lignin-based polymer composite material, preparation method and application 南京林业大学 2021-08-03 CN disclosed