SCHEMBL11064362

SCHEMBL11064362

CCOC(=O)Cc1c(C(=O)OCC)c(CCc2cccc(Cl)c2)cn1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
ALOX5 P09917 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.44
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PTGES O14684 2/20 0.41
MAOB P27338 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7684712 0.79 ELANE (0.44) MAPTMAPK1ALOX5SMN1; SMN2KMT2A
SCHEMBL11064982 0.79 ALOX5 (0.46) MAPTMAPK1ALOX5SMN1; SMN2KMT2A
SCHEMBL11059882 0.79 ALOX5 (0.46) MAPTMAPK1ALOX5SMN1; SMN2KMT2A
SCHEMBL7674450 0.78 LMNA (0.42) MAPTSMN1; SMN2KMT2ALMNAHPGD
SCHEMBL11063907 0.76 ALOX5 (0.43) MAPTMAPK1ALOX5SMN1; SMN2KMT2A
SCHEMBL406058 0.74 MAOB (0.58) MAPTMAPK1ALOX5SMN1; SMN2KMT2A
SCHEMBL11198914 0.74 ALOX5 (0.56) MAPTMAPK1ALOX5SMN1; SMN2KMT2A
SCHEMBL11068597 0.72 ALOX5 (0.47) MAPTMAPK1ALOX5SMN1; SMN2KMT2A
SCHEMBL7678852 0.71 LMNA (0.51) MAPTSMN1; SMN2KMT2ALMNAHPGD
SCHEMBL11071958 0.71 ALOX5 (0.53) MAPTMAPK1ALOX5SMN1; SMN2KMT2A

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-4440779-A Tricyclic derivatives of substituted pyrrole acids as analgesic and anti-inflammatory agents MERCK & CO., INC. (US) 1984-04-03 US disclosed