SCHEMBL8310033

SCHEMBL8310033

CCOC(=O)CCc1cc(CCNC(=O)OCc2ccccc2)cc(C(O)c2cccnc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CASP1 P29466 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL8307940 0.86 CYP4F2 (0.43) MAPTHTTLMNA
SCHEMBL8304781 0.84 PPARG (0.40) KMT2ALMNA
SCHEMBL8304255 0.83 TBXAS1 (0.47) MAPTLMNA
SCHEMBL8310036 0.79 LMNA (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8309357 0.73 TBXAS1 (0.58) MAPT
SCHEMBL3295121 0.72 HTT (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21559798 0.70 HTT (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25334281 0.69 HTT (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19120696 0.69 MGLL (0.52) SMN1; SMN2MAPTCASP1LMNA
SCHEMBL9659279 0.69 PPARA (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2

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-0579618-B1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1999-10-13 EP disclosed
US-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed