SCHEMBL29019332

SCHEMBL29019332

O=C(O)C(Oc1cc2ccccc2oc1=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.54
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CA1 P00915 1/20 0.54
CA3 P07451 1/20 0.54
TSHR P16473 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
GPR35 Q9HC97 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TYR P14679 1/20 0.50
DAO P14920 1/20 0.50
AKR1B1 P15121 1/20 0.50

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
SCHEMBL9956827 0.80 KDM4E (0.56) MAOBCA12CA9CA1CA3
SCHEMBL6036799 0.80 MAOB (0.58) MAOBCA12CA9CA1CA3
Acetic Acid SCHEMBL155186 0.77 KMT2A (0.60) MAOBCA12CA9CA1CA3
SCHEMBL15635413 0.77 MAOB (0.50) MAOBCA12CA9CA1CA3
Bicarbonate SCHEMBL4227922 0.77 KDM4E (0.58) MAOBCA12CA9CA1CA3
SCHEMBL28437671 0.77 HPGD (0.58) MAOBCA12CA9CA1CA3
SCHEMBL1045399 0.76 KDM4E (0.61) MAOBCA12CA9CA1CA3
SCHEMBL11075359 0.76 KDM4E (0.60) MAOBCA12CA9CA1CA3
SCHEMBL27696165 0.76 CA12 (0.65) MAOBCA12CA9CA1CA3
SCHEMBL11081635 0.75 HPGD (0.53) MAOBCA12CA9CA1CA3

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-116916872-A Dental composition 可乐丽则武齿科株式会社 2023-10-20 CN disclosed
CN-111050731-B Non-solvent dental adhesive composition 可乐丽则武齿科株式会社 2023-06-20 CN disclosed