SCHEMBL8813896

SCHEMBL8813896

COc1cc(C(=O)CNC(=O)C2CCCO2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.54
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
RXFP1 Q9HBX9 1/20 0.47
KCNH2 Q12809 2/20 0.46
SIRT5 Q9NXA8 1/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
SLC22A1 O15245 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ACHE P22303 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL8815387 0.81 SIRT5 (0.59) HPGDALDH1A1KMT2AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8814545 0.80 SIRT5 (0.57) HPGDALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL2924409 0.74 HPGD (0.73) HPGDALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL9478637 0.71 ALPG (0.69) HPGDALDH1A1KMT2AKDM4EHTT
SCHEMBL7046987 0.70 ALDH1A1 (0.72) HPGDALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL3657544 0.70 HPGD (0.51) HPGDALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL8815070 0.69 MEN1 (0.46) ALDH1A1KMT2AKDM4ETDP1
SCHEMBL209681 0.69 POLB (0.49) HPGDALDH1A1KMT2ATDP1GAA
SCHEMBL8814996 0.69 KMT2A (0.59) HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL7441888 0.68 ITGB3 (0.54) HPGDKMT2ASMN1; SMN2

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-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed