SCHEMBL7409790

SCHEMBL7409790

COC(=O)c1cc(Cl)c(Cl)cc1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
HTT P42858 1/20 0.47
POLB P06746 2/20 0.44
HPGD P15428 6/20 0.43
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 5/20 0.41
ABL1 P00519 1/20 0.41
MAPT P10636 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
RAB9A P51151 1/20 0.41
TNFSF11 O14788 1/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL167764 0.88 POLB (0.51) GAAHTTPOLBHPGDKDM4E
SCHEMBL7407421 0.85 HTT (0.51) GAAHTTPOLBHPGDKDM4E
SCHEMBL7414737 0.84 GAA (0.50) GAAHTTPOLBHPGDKDM4E
SCHEMBL7410882 0.84 HTT (0.57) GAAHTTPOLBHPGDKDM4E
SCHEMBL7419408 0.83 GAA (0.74) GAAHTTPOLBHPGDKDM4E
SCHEMBL20539831 0.83 HTT (0.46) GAAHTTPOLBHPGDKDM4E
SCHEMBL168791 0.83 GAA (0.46) GAAHTTPOLBHPGDKDM4E
SCHEMBL1953848 0.80 GAA (0.58) GAAHTTHPGDKDM4EALDH1A1
SCHEMBL7414042 0.79 ABL1 (0.54) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL28975019 0.77 TNFSF11 (0.66) GAAHTTKDM4EALDH1A1SMN1; 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-4935511-A Nervous system, gastrointestinal disorders RORER PHARMACEUTICAL CORPORATION (US) 1990-06-19 US disclosed