SCHEMBL5296281

SCHEMBL5296281

CC(C)(C(=O)O)c1ccccc1.COC(=O)C(C)(C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.60
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
SRC P12931 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CES1 P23141 1/20 0.42
ELANE P08246 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL728471 0.94 KCNN4 (0.67) KCNN4MAPTKMT2ASRCHDAC3
Ammonia Solution, Strong SCHEMBL11249050 0.92 KCNN4 (0.64) KCNN4MAPTKMT2ASRCHDAC3
Hydrochloric Acid SCHEMBL27604363 0.92 KCNN4 (0.64) KCNN4MAPTKMT2ASRCHDAC3
SCHEMBL6571 0.85 MAPT (0.67) KCNN4MAPTKMT2AHDAC3HDAC4
Hydrochloric Acid SCHEMBL8899483 0.83 MAPT (0.64) KCNN4MAPTKMT2AHDAC3HDAC4
SCHEMBL8974321 0.83 CNR1 (0.54) KCNN4MAPTKMT2ASRCHDAC1
Methyl Alcohol SCHEMBL5282426 0.83 MAPT (0.64) KCNN4MAPTKMT2AHDAC3HDAC4
SCHEMBL27514359 0.83 MAPT (0.64) KCNN4MAPTKMT2AHDAC3HDAC4
SCHEMBL27888039 0.83 MAPT (0.64) KCNN4MAPTKMT2AHDAC3HDAC4
SCHEMBL29033303 0.83 MAPT (0.64) KCNN4MAPTKMT2AHDAC3HDAC4

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
WO-2007007347-A1 INDUSTRIAL PROCESS OF FEXOFENADINE HYDROCHLORIDE WITH CONTROLLED SIDE PRODUCTS WOCKHARDT LIMITED (IN) 2007-01-18 WO disclosed