SCHEMBL8029008

SCHEMBL8029008

O=C(OCc1ccccc1)N(CCO)CCCCCCN(Cc1ccc(F)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.56
PAX8 Q06710 1/20 0.56
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.42
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ACKR3 P25106 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
SCHEMBL9110508 0.86 CCR6 (0.61) CCR6PAX8HDAC3HDAC4HDAC1
SCHEMBL19018818 0.86 CCR6 (0.61) CCR6PAX8HDAC3HDAC4HDAC1
SCHEMBL15582141 0.86 CCR6 (0.61) CCR6PAX8HDAC3HDAC4HDAC1
SCHEMBL8030776 0.86 CCR6 (0.54) CCR6PAX8GAALPAR1LPAR5
SCHEMBL6264786 0.86 CCR6 (0.57) CCR6PAX8GAALMNAHDAC3
SCHEMBL14823650 0.86 CCR6 (0.56) CCR6PAX8GAALMNAHDAC3
SCHEMBL16586897 0.85 CCR6 (0.63) CCR6PAX8LMNALPAR1HDAC3
SCHEMBL8032608 0.84 CCR6 (0.52) CCR6PAX8LMNAPTGDR2KMT2A
SCHEMBL16585962 0.83 CCR6 (0.60) CCR6PAX8LMNAHDAC3HDAC4
SCHEMBL554069 0.82 CCR6 (0.64) CCR6PAX8LMNAL3MBTL1KMT2A

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