SCHEMBL9698748

SCHEMBL9698748

COC(O)([C]=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.44
KCNN4 O15554 1/20 0.44
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MAPK1 P28482 1/20 0.37
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
SRC P12931 1/20 0.36
CYP2C19 P33261 2/20 0.35

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
SCHEMBL6384303 0.79 CES1 (0.40) CES1KCNN4ALDH1A1ALOX15HDAC3
SCHEMBL27267147 0.76 KCNN4 (0.33) CES1KCNN4ALDH1A1ALOX15HDAC3
SCHEMBL7873896 0.74 ALDH1A1 (0.46) CES1KCNN4ALDH1A1ALOX15MAPK1
SCHEMBL1229735 0.74 CES1 (0.42) CES1KCNN4ALDH1A1ALOX15HDAC3
SCHEMBL4080316 0.72 MAPK1 (0.43) CES1KCNN4ALDH1A1ALOX15HDAC3
SCHEMBL6826582 0.72 MAPK1 (0.43) CES1KCNN4ALDH1A1ALOX15HDAC3
SCHEMBL4429025 0.71 MAPT (0.45) KCNN4ALDH1A1ALOX15HDAC3HDAC4
SCHEMBL4080546 0.71 KCNN4 (0.44) CES1KCNN4ALDH1A1ALOX15MAPK1
SCHEMBL4085558 0.71 CES1 (0.40) CES1KCNN4ALDH1A1ALOX15HDAC3
SCHEMBL4372562 0.70 CES1 (0.47) CES1KCNN4ALDH1A1ALOX15MAPK1

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-0482594-A1 Tylosin derivative and method for preparing the same MERCIAN CORPORATION (JP) 1992-04-29 EP disclosed