SCHEMBL7678604

SCHEMBL7678604

CCOC(=O)c1[nH]c2occc2c1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.47
ALOX5 P09917 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALOX15 P16050 5/20 0.40
MDM2 Q00987 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
MAOB P27338 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL7682574 0.83 KDM4A (0.43) MEN1ALDH1A1KMT2A
SCHEMBL7682599 0.80 PTGES (0.47) PTGESALOX5SMN1; SMN2TSHRLMNA
SCHEMBL364035 0.70 MAPK1 (0.55) PTGESALOX5SMN1; SMN2TSHRLMNA
SCHEMBL18796672 0.69 PDE3B (0.73) PTGESALOX5SMN1; SMN2TSHRLMNA
SCHEMBL823402 0.68 SMN1; SMN2 (0.46) PTGESALOX5SMN1; SMN2TSHRLMNA
SCHEMBL15931903 0.67 MAPT (0.48) PTGESALOX5SMN1; SMN2TSHRLMNA
SCHEMBL5214867 0.67 ALOX5 (0.47) PTGESALOX5SMN1; SMN2TSHRMAPT
SCHEMBL902329 0.66 PDE4A (0.47) PTGESALOX5SMN1; SMN2TSHRLMNA
SCHEMBL8938451 0.66 ALDH1A1 (0.68) MAPTALOX15MEN1ALDH1A1KMT2A
SCHEMBL18919725 0.66 ALOX5 (0.50) PTGESALOX5SMN1; SMN2LMNAMAPT

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-6479527-B1 Bicyclic pyrrole derivatives as MCP-1 inhibitors ASTRAZENECA UK LIMITED (GB) 2002-11-12 US disclosed