SCHEMBL8323595

SCHEMBL8323595

COC(=O)c1ccc(C#N)c(O)c1.N#Cc1ccc(CO)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
XDH P47989 2/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
HPGD P15428 4/20 0.42
LMNA P02545 3/20 0.42
CYP4A11 Q02928 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2427132 0.89 CA1 (0.62) CA1CA2XDHCA12CA7
SCHEMBL2997723 0.81 SNCA (0.49) CA1CA2ALDH1A1KDM4EMAPT
SCHEMBL23012870 0.79 CA12 (0.48) CA2CA12CA7CA9CA14
SCHEMBL2983465 0.79 CA12 (0.49) CA1CA2XDHCA12CA7
SCHEMBL30863575 0.76 CA1 (0.62) CA1CA2XDHCA12CA7
SCHEMBL399625 0.76 CA1 (0.62) CA1CA2XDHCA12CA7
SCHEMBL8483267 0.76 MRGPRX4 (0.48) XDHHPGDLMNASMN1; SMN2MAPT
SCHEMBL8148281 0.76 CA1 (0.52) CA1CA2XDHCA12CA7
SCHEMBL16954296 0.76 CA12 (0.48) CA1CA2CA12CA7CA9
SCHEMBL18973195 0.76 CA12 (0.45) CA1CA2XDHCA12CA7

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
EP-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed