SCHEMBL8844738

SCHEMBL8844738

COC(=O)c1cc(Oc2ccccc2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
XDH P47989 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PNLIP P16233 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL4456195 0.87 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL7765911 0.87 XDH (0.55) LMNATSHRKDM4EHSD17B10XDH
SCHEMBL22441922 0.84 POLB (0.60) LMNAKDM4EXDHMEN1KMT2A
SCHEMBL22441920 0.84 POLB (0.60) LMNAKDM4EXDHHPGDSMN1; SMN2
SCHEMBL15028056 0.84 NR1H4 (0.53) LMNAKDM4EHSD17B10XDHNPC1
SCHEMBL1821607 0.83 PNLIP (0.54) LMNAKDM4EHSD17B10MEN1KMT2A
SCHEMBL2533361 0.83 POLB (0.58) CA12CA1CA2CA7CA9
SCHEMBL22447135 0.83 XDH (0.51) KDM4EHSD17B10XDHHPGDSMN1; SMN2
SCHEMBL2723179 0.83 ALDH1A1 (0.57) TSHRKDM4EHSD17B10XDHMEN1
Methyl 2-Hydroxy-5-Methoxybenzoate SCHEMBL29709382 0.81 CA1 (0.72) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602151-A ADMINISTERING TO MAMMALS TO REDUCE SERUM CHOLESTEROL LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-11 US disclosed
US-5512565-A REDUCE CHOLESTEROL ABSORPTION IN MAMMALS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-30 US disclosed
US-5391571-A Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-02-21 US disclosed
EP-0428385-A1 Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-22 EP disclosed