SCHEMBL8770694

SCHEMBL8770694

O=C(O)CCCCCNC(=O)CCCCNC(=O)c1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.76
HDAC6 Q9UBN7 10/20 0.75
HDAC1 Q13547 8/20 0.75
HDAC8 Q9BY41 7/20 0.75
HDAC3 O15379 6/20 0.75
HDAC2 Q92769 6/20 0.75
HDAC4 P56524 5/20 0.75
HDAC10 Q969S8 5/20 0.75
HDAC11 Q96DB2 5/20 0.75
HDAC9 Q9UKV0 5/20 0.75
HDAC5 Q9UQL6 5/20 0.75
HDAC7 Q8WUI4 4/20 0.75
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
LMNA P02545 2/20 0.63
NAAA Q02083 1/20 0.62
TSHR P16473 1/20 0.61
NCOR2 Q9Y618 1/20 0.60
KDM4E B2RXH2 1/20 0.59

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
SCHEMBL27339421 1.00 MAPK1 (0.76) MAPK1HDAC6HDAC1HDAC8HDAC3
SCHEMBL10659200 0.94 MAPK1 (0.86) MAPK1HDAC6HDAC1HDAC8HDAC3
SCHEMBL10865398 0.94 MAPK1 (0.86) MAPK1HDAC6HDAC1HDAC8HDAC3
SCHEMBL5655215 0.94 MAPK1 (0.86) MAPK1HDAC6HDAC1HDAC8HDAC3
SCHEMBL1231651 0.94 MAPK1 (0.86) MAPK1HDAC6HDAC1HDAC8HDAC3
SCHEMBL950223 0.92 MAPK1 (0.83) MAPK1HDAC6HDAC1HDAC8HDAC3
SCHEMBL8770687 0.89 HDAC6 (0.73) MAPK1HDAC6HDAC1HDAC8HDAC3
SCHEMBL8770814 0.89 MAPK1 (0.69) MAPK1HDAC6HDAC1HDAC8HDAC3
SCHEMBL3596135 0.88 MAPK1 (0.81) MAPK1HDAC6HDAC1HDAC8HDAC3
SCHEMBL3081575 0.88 MAPK1 (0.81) MAPK1HDAC6HDAC1HDAC8HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797579-A1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 1997-10-01 EP disclosed
WO-1996018633-A1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 1996-06-20 WO disclosed