SCHEMBL8310036

SCHEMBL8310036

CCOC(=O)CCc1cc(CCNC(=O)OCc2ccccc2)cc(C(CO)c2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 1/20 0.43
GFER P55789 1/20 0.43
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
TBXAS1 P24557 2/20 0.42
FAAH O00519 1/20 0.41
ALDH1A1 P00352 3/20 0.41
USP2 O75604 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
SCHEMBL8307943 0.87 CYP4F2 (0.45) LMNATBXAS1ALDH1A1
SCHEMBL8304782 0.84 TBXAS1 (0.46) TBXAS1
SCHEMBL8308679 0.82 CYP4F2 (0.41) LMNATBXAS1ALDH1A1
SCHEMBL8310033 0.79 HDAC3 (0.42) LMNASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL8308755 0.78 TBXAS1 (0.67) TBXAS1
SCHEMBL8304256 0.77 SMN1; SMN2 (0.51) SMN1; SMN2TBXAS1ALDH1A1NAMPTHTT
SCHEMBL8705027 0.76 EPHX1 (0.44) LMNASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL8305362 0.73 TBXAS1 (0.76) SMN1; SMN2HDAC2HDAC8HDAC6TBXAS1
SCHEMBL8309142 0.73 TBXAS1 (0.70) LMNATBXAS1ALDH1A1
SCHEMBL8307372 0.73 TBXAS1 (0.53) TBXAS1ALDH1A1CYP3A4

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