SCHEMBL7965644

SCHEMBL7965644

CC(=O)c1c(C)oc(=O)c(C(C)=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.49
CA12 O43570 4/20 0.49
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP2 O95551 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
PTGES O14684 1/20 0.32

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
SCHEMBL15233112 0.85 CA9 (0.47) CA9CA12MITFLMNAMAPT
SCHEMBL5633583 0.82 CA9 (0.47) CA9CA12MITFLMNAMAPT
SCHEMBL10663908 0.80 CA9 (0.50) CA9CA12MAPTGAAALDH1A1
SCHEMBL7965502 0.79 CA12 (0.42) CA9CA12MAPTPOLBGAA
SCHEMBL13403281 0.76 CYP1A2 (0.39) CA9CA12MITFLMNAMAPT
SCHEMBL11843818 0.73 POLB (0.57) CA9MITFLMNAMAPTHTT
SCHEMBL6023652 0.69 CYP3A4 (0.48) CA9CA12LMNAPOLBALDH1A1
SCHEMBL7968690 0.67 MEN1 (0.48) CA9MITFLMNAMAPTHTT
SCHEMBL1308058 0.67 KMT2A (0.59) LMNAMAPTHTTPOLBGAA
SCHEMBL280169 0.66 MAPT (0.50) CA9CA12MITFLMNAMAPT

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
US-6215016-B1 HEMATOPOIETIC AGENTS; PREVENTING CYTOPENIA TORAY INDUSTRIES, INC. (JP) 2001-04-10 US disclosed
EP-0841063-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1998-05-13 EP disclosed