SCHEMBL17133103

SCHEMBL17133103

O=C(O)/C(I)=C(/I)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
KDM5B Q9UGL1 1/20 0.31
ACHE P22303 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
SCHEMBL5691942 1.00 CA1 (0.36) CA1CA2CA9LDHALDHB
SCHEMBL5691946 1.00 CA1 (0.36) CA1CA2CA9LDHALDHB
SCHEMBL9812383 0.82
SCHEMBL11106261 0.76
SCHEMBL11120424 0.76
SCHEMBL11120423 0.76
SCHEMBL30876328 0.76
SCHEMBL3675635 0.74
SCHEMBL29245273 0.72
SCHEMBL30104 0.72

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
US-20150273396-A1 DRAW SOLUTIONS AND DRAW SOLUTE RECOVERY FOR OSMOTICALLY DRIVEN MEMBRANE PROCESSES OASYS WATER, INC. 2015-10-01 US disclosed
CN-101098691-B Andrographolide derivatives to treat viral infections CORNELL RES FOUNDATION INC 2012-09-05 CN disclosed
CN-101098691-A Andrographolide derivatives to treat viral infections CORNELL RES FOUNDATION INC (US) 2008-01-02 CN disclosed