SCHEMBL7410882

SCHEMBL7410882

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
HPGD P15428 7/20 0.53
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 3/20 0.49
NPSR1 Q6W5P4 2/20 0.48
AGER Q15109 1/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 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
SCHEMBL130152 0.88 HTT (0.72) HTTHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL10785852 0.87 AGER (0.45) HTTHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL7368723 0.87 KDM4E (0.49) HTTHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL7407421 0.87 HTT (0.51) HTTHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL10353962 0.85 AGER (0.44) HTTHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL7409790 0.84 GAA (0.54) HTTHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL7367528 0.83 TDP1 (0.59) HTTHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL7417048 0.82 SMN1; SMN2 (0.44) HTTHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL20099475 0.81 HTT (0.52) HTTHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL28758846 0.81 HTT (0.52) HTTHPGDALDH1A1SMN1; SMN2KDM4E

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