SCHEMBL8304781

SCHEMBL8304781

CCOC(=O)CCc1cc(CCC(=O)O)cc(C(O)c2cccnc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
CYP4Z1 Q86W10 1/20 0.38
RORC P51449 1/20 0.37
LMNA P02545 1/20 0.36
TBXAS1 P24557 4/20 0.36
AKR1C3 P42330 1/20 0.36
FFAR1 O14842 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SYK P43405 1/20 0.35
ABCB1 P08183 1/20 0.35
PTPN1 P18031 1/20 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
SCHEMBL8307940 0.96 CYP4F2 (0.43) CYP4F2CYP4A11CYP4Z1RORCLMNA
SCHEMBL8308677 0.91 CYP4F2 (0.39) CYP4F2CYP4A11CYP4Z1RORCLMNA
SCHEMBL8304255 0.85 TBXAS1 (0.47) LMNATBXAS1
SCHEMBL8310033 0.84 HDAC3 (0.42) LMNAKMT2A
SCHEMBL8308752 0.81 TBXAS1 (0.56) TBXAS1
SCHEMBL8309357 0.79 TBXAS1 (0.58) TBXAS1
SCHEMBL9183036 0.76 TBXAS1 (0.66) TBXAS1
SCHEMBL8304782 0.74 TBXAS1 (0.46) CYP4F2CYP4A11CYP4Z1TBXAS1FFAR1
SCHEMBL3175580 0.73 CYP4F2 (0.57) PPARGCYP4F2CYP4A11CYP4Z1FFAR1
SCHEMBL8308483 0.73 CYP3A4 (0.45)

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