SCHEMBL11328299

SCHEMBL11328299

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1(C)Oc1ccc2ccc(=O)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
CA12 O43570 5/20 0.45
CA9 Q16790 5/20 0.45
GLA P06280 3/20 0.45
GAA P10253 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 8/20 0.43
MTNR1A P48039 1/20 0.43
DNMT1 P26358 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 4/20 0.42
CA7 P43166 3/20 0.42
CA13 Q8N1Q1 1/20 0.42
HPGD P15428 6/20 0.41
HSD17B10 Q99714 6/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40

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
SCHEMBL1581949 0.87 TDP1 (0.48) KDM4ECA12CA9GLAGAA
SCHEMBL8021414 0.87 TDP1 (0.48) KDM4ECA12CA9GLAGAA
SCHEMBL9118857 0.87 TDP1 (0.48) KDM4ECA12CA9GLAGAA
SCHEMBL2343404 0.87 TDP1 (0.48) KDM4ECA12CA9GLAGAA
SCHEMBL3193551 0.72 KDM4E (0.48) KDM4ECA12CA9GLAGAA
SCHEMBL3487864 0.69 ALDH1A1 (0.36) KDM4ECA12CA9GLAGAA
SCHEMBL2169699 0.69 CA12 (0.43) KDM4ECA12CA9GLAGAA
Herniarin SCHEMBL8840598 0.69 CA12 (0.62) KDM4ECA12CA9GLAGAA
SCHEMBL8934936 0.69 KDM4E (0.37) KDM4ECA12CA9GLAGAA
Skimmin SCHEMBL3891106 0.68 KDM4E (0.71) KDM4ECA12CA9GLAGAA

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-4259442-A COLORIMETRIC ANALYSIS LABORATOIRE DE RECHERCHE API S.A.R.L. (FR) 1981-03-31 US claimed