SCHEMBL8715416

SCHEMBL8715416

O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.O=C(O)OO.[NaH].[NaH].[NaH].[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ACHE P22303 1/20 0.31
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL9639947 1.00
SCHEMBL17027943 1.00 CA1 (0.36) CA1CA2CA9ACHETSHR
SCHEMBL2009308 1.00 CA1 (0.36) CA1CA2CA9ACHETSHR
SCHEMBL730619 1.00
Water SCHEMBL303842 0.95 CA1 (0.33) CA1CA2CA9
Water SCHEMBL7785499 0.95
Water SCHEMBL60219 0.95
Water SCHEMBL9137493 0.95
Bicarbonate SCHEMBL21796223 0.95 CA1 (0.46) CA1CA2CA9
SCHEMBL678902 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851913-A1 NOVEL LIPOLYTIC ENZYMES NOVO NORDISK A/S (DK) 1998-07-08 EP disclosed
WO-1997007202-A1 NOVEL LIPOLYTIC ENZYMES NOVO NORDISK A/S (DK) 1997-02-27 WO disclosed
WO-1997004078-A1 A MODIFIED ENZYME WITH LIPOLYTIC ACTIVITY NOVO NORDISK A/S (DK) 1997-02-06 WO disclosed