SCHEMBL8032609

SCHEMBL8032609

O=C(OCc1ccccc1)N(CCO)CCCCCCN(Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CCR6 P51684 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ PRKCA P17252 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.45
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ PTGIR P43119 1/20 0.42
▸ PTGDR Q13258 1/20 0.42
▸ PTGES O14684 2/20 0.42
▸ MMP1 P03956 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NR4A2 P43354 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41

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
SCHEMBL8029008 0.81 CCR6 (0.56) KMT2ACCR6PAX8PTGDR2LMNA
SCHEMBL15582141 0.79 CCR6 (0.61) MEN1KMT2ACCR6PAX8ALDH1A1
SCHEMBL19018818 0.79 CCR6 (0.61) MEN1KMT2ACCR6PAX8ALDH1A1
SCHEMBL9110508 0.79 CCR6 (0.61) MEN1KMT2ACCR6PAX8ALDH1A1
SCHEMBL6264786 0.79 CCR6 (0.57) MEN1KMT2ACCR6PAX8LMNA
SCHEMBL14823650 0.79 CCR6 (0.56) MEN1KMT2ACCR6PAX8LMNA
SCHEMBL16586897 0.78 CCR6 (0.63) MEN1KMT2ACCR6PAX8LMNA
SCHEMBL554069 0.77 CCR6 (0.64) KMT2ACCR6PAX8MMP12LMNA
SCHEMBL8030822 0.77 TSHR (0.52) CCR6PAX8CYP3A4GAAALDH1A1
SCHEMBL8030776 0.77 CCR6 (0.54) MEN1KMT2ACCR6PAX8GAA

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
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