SCHEMBL8030776

SCHEMBL8030776

COc1ccc(CN(CCCCCCN(CCO)C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.54
PAX8 Q06710 1/20 0.54
TSHR P16473 2/20 0.49
LPAR1 Q92633 2/20 0.48
TDP1 Q9NUW8 3/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
LPAR5 Q9H1C0 1/20 0.46
ACHE P22303 1/20 0.45
ALOX5 P09917 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44

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
SCHEMBL391872 0.87 TSHR (0.50) CCR6PAX8TSHRLPAR1TDP1
SCHEMBL393311 0.87 TSHR (0.47) CCR6PAX8TSHRLPAR1TDP1
SCHEMBL16295819 0.86 TSHR (0.51) CCR6PAX8TSHRLPAR1TDP1
SCHEMBL8029008 0.86 CCR6 (0.56) CCR6PAX8LPAR1GAAMAPT
SCHEMBL393336 0.85 TSHR (0.48) CCR6PAX8TSHRLPAR1TDP1
SCHEMBL4668991 0.84 TSHR (0.54) TSHRLPAR1TDP1POLBGAA
SCHEMBL8032608 0.84 CCR6 (0.52) CCR6PAX8KMT2A
SCHEMBL15582141 0.84 CCR6 (0.61) CCR6PAX8TDP1L3MBTL1MEN1
SCHEMBL19018818 0.84 CCR6 (0.61) CCR6PAX8TDP1L3MBTL1MEN1
SCHEMBL9110508 0.84 CCR6 (0.61) CCR6PAX8TDP1L3MBTL1MEN1

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
EP-0797579-B1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2000-03-15 EP disclosed