SCHEMBL4044225

SCHEMBL4044225

CC(=O)OCCOc1ccc(CCC(=O)O)nc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
FFAR4 Q5NUL3 1/20 0.43
CYP4F2 P78329 9/20 0.42
CYP4A11 Q02928 9/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40

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
SCHEMBL3300820 0.84 PDE3B (0.42) FFAR1L3MBTL1CYP4F2CYP4A11PDE3B
SCHEMBL27774507 0.81 ALDH1A1 (0.49) LMNA
SCHEMBL12924822 0.80 FFAR1 (0.53) FFAR1L3MBTL1LMNAFFAR4
SCHEMBL28904650 0.77 MAPT (0.51) L3MBTL1PDE3BPDE3AP2RY12
SCHEMBL30026033 0.77 MAPT (0.51) L3MBTL1PDE3BPDE3AP2RY12
SCHEMBL12896079 0.77 FFAR1 (0.49) FFAR1L3MBTL1LMNAFFAR4
SCHEMBL3306252 0.76 PDE3B (0.43) L3MBTL1LMNAPDE3BPDE3AP2RY12
SCHEMBL3306255 0.76 PDE3B (0.43) L3MBTL1LMNAPDE3BPDE3AP2RY12
SCHEMBL10030181 0.76 L3MBTL1 (0.55) L3MBTL1LMNAPDE3BPDE3AP2RY12
SCHEMBL2053753 0.75 FFAR1 (0.67) FFAR1FFAR4CYP4F2CYP4A11

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-2066637-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS Bayer HealthCare AG (DE) 2009-06-10 EP disclosed
WO-2008028590-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed