SCHEMBL9601655

SCHEMBL9601655

O=C(OC(=O)c1ccccc1Oc1ccnnn1)c1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.38
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL9601666 0.93 KMT2A (0.41) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL9599518 0.79 CTNNB1 (0.53) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL29525350 0.72 LMNA (0.68) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL3908136 0.72 LMNA (0.68) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL27290661 0.70 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL789772 0.68 HSD17B10 (0.61) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL10335125 0.67 KDM4E (0.49) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL9601633 0.67 HNF4A (0.35) HSD17B10
SCHEMBL9692048 0.67 KDM4E (0.44) ALDH1A1KDM4ETSHRLMNAALOX15
SCHEMBL13828284 0.66 HSD17B10 (0.69) ALDH1A1HPGDKDM4EHSD17B10TSHR

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-5262386-A Herbicides and plant growth regulators, weed control and positive influence on crop plants CIBA-GEIGY CORPORATION (US) 1993-11-16 US disclosed