SCHEMBL9468569

SCHEMBL9468569

CCOC(=O)c1ccc(-c2ccc(CCBr)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
CYP1A2 P05177 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN1 P18031 1/20 0.48
HPGD P15428 5/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48

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
SCHEMBL348611 0.95 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL19737251 0.87 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL5863191 0.87 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL3056656 0.85 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL6394479 0.85 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL15672816 0.84 CA1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL12199135 0.84 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL16351874 0.84 CA1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL1965326 0.84 CA1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL9467808 0.84 CYP1A2 (0.62) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5232946-A Promoting weight gain and reduction of blood sugar and fat deposits in animals, feed efficiency DR. KARL THOMAE GMBH (DE) 1993-08-03 US disclosed