SCHEMBL7414737

SCHEMBL7414737

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
HTT P42858 1/20 0.44
HPGD P15428 7/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
NQO2 P16083 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL7409790 0.84 GAA (0.54) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL167764 0.80 POLB (0.51) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL7407421 0.78 HTT (0.51) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL27410742 0.78 GAA (0.59) GAAHTTHPGDALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7418823 0.77 GAA (0.46) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL7410882 0.77 HTT (0.57) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL20539831 0.75 HTT (0.46) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL168791 0.75 GAA (0.46) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL3655431 0.73 KDM4E (0.49) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL7419408 0.72 GAA (0.74) GAAHTTHPGDALDH1A1KDM4E

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