SCHEMBL8032608

SCHEMBL8032608

CS(=O)(=O)c1ccc(CN(CCCCCCN(CCO)C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.52
PAX8 Q06710 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.45
LIMK2 P53671 2/20 0.43
PTPN1 P18031 1/20 0.41
RORC P51449 1/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA4 P22748 1/20 0.40
KMT2A Q03164 1/20 0.40
LIMK1 P53667 1/20 0.39
LMNA P02545 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL8030776 0.84 CCR6 (0.54) CCR6PAX8KMT2A
SCHEMBL8029008 0.84 CCR6 (0.56) CCR6PAX8PTGDR2KMT2ALMNA
SCHEMBL19018818 0.82 CCR6 (0.61) CCR6PAX8KMT2ACNR2
SCHEMBL9110508 0.82 CCR6 (0.61) CCR6PAX8KMT2ACNR2
SCHEMBL15582141 0.82 CCR6 (0.61) CCR6PAX8KMT2ACNR2
SCHEMBL6264786 0.82 CCR6 (0.57) CCR6PAX8LIMK2KMT2ALMNA
SCHEMBL14823650 0.82 CCR6 (0.56) CCR6PAX8LIMK2KMT2ALMNA
SCHEMBL16586897 0.81 CCR6 (0.63) CCR6PAX8KMT2ALMNACNR2
SCHEMBL10823051 0.80 CCR6 (0.62) CCR6PAX8KMT2ACNR2
SCHEMBL10822625 0.80 CCR6 (0.62) CCR6PAX8KMT2ACNR2

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