SCHEMBL6686749

SCHEMBL6686749

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nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.54
CA2 P00918 1/20 0.37
SLC22A16 Q86VW1 1/20 0.37
CTSL P07711 1/20 0.34
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30

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
SCHEMBL5863448 0.95 CA4 (0.54) CA4CA2SLC22A16CTSLMEN1
SCHEMBL15190571 0.95 CA4 (0.54) CA4CA2SLC22A16CTSLMEN1
SCHEMBL5863137 0.95 CA4 (0.54) CA4CA2SLC22A16CTSLMEN1
SCHEMBL27629592 0.81 CA4 (0.54) CA4CA2SLC22A16CTSLMEN1
SCHEMBL6683499 0.76 CA4 (0.54) CA4CA2SLC22A16CTSLMEN1
SCHEMBL27649450 0.76 CA4 (0.54) CA4CA2SLC22A16CTSLMEN1
SCHEMBL27629394 0.76 CA4 (0.54) CA4CA2SLC22A16CTSLMEN1
SCHEMBL10933480 0.74 CA4 (0.52) CA4CA2SLC22A16CTSLMEN1
SCHEMBL10933488 0.74 CA4 (0.52) CA4CA2SLC22A16CTSLMEN1
Malic Acid SCHEMBL991900 0.74 CA4 (0.94) CA4CA2SLC22A16CTSLCPT2

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-20130216646-A1 Nanoparticles of Nutritional and Pharmaceutical Compounds RAMANUJACHARY KANDALAM V (US) 2013-08-22 US disclosed
WO-2004050031-A2 DIMETALHYDROXY MALATES ALBION INTERNATIONAL, INC. (US) 2004-06-17 WO disclosed
US-6706904-B1 SALT FORMATION AND METALLIZATION OF MALIC ACID USING HYDROXIDES OF CALCIUM, MAGNESIUM, ZINC, COPPER, MANGANESE, AND IRON; NUTRIENTS, DIETETICS; BIOAVAILABILITY ALBION INTERNATIONAL, INC. 2004-03-16 US disclosed