SCHEMBL8922076

SCHEMBL8922076

O=C(O)CCCCCOc1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.61
MAOB P27338 3/20 0.56
MAOA P21397 1/20 0.56
FFAR1 O14842 6/20 0.54
FFAR4 Q5NUL3 2/20 0.54
ALB P02768 1/20 0.53
PPARA Q07869 2/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
APP P05067 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ALOX5 P09917 1/20 0.51

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
SCHEMBL8921579 0.91 PPARA (0.61) FFAR1ALBPPARAHRH3
SCHEMBL6545281 0.91 PPARA (0.61) FFAR1ALBPPARAHRH3
SCHEMBL8922627 0.91 PPARA (0.61) FFAR1ALBPPARAHRH3
SCHEMBL28555169 0.91 PPARA (0.61) FFAR1ALBPPARAHRH3
SCHEMBL21991528 0.89 NR4A2 (0.67) NR4A2MAOBMAOAFFAR1FFAR4
SCHEMBL28536384 0.89 PPARA (0.63) FFAR1ALBPPARAHRH3
SCHEMBL1171526 0.86 FFAR1 (0.67) NR4A2FFAR1FFAR4ALBPPARA
SCHEMBL1171933 0.86 FFAR1 (0.67) NR4A2FFAR1FFAR4ALBPPARA
SCHEMBL1799635 0.86 FFAR1 (0.67) NR4A2FFAR1FFAR4ALBPPARA
SCHEMBL1115038 0.84 FFAR1 (0.69) NR4A2FFAR1FFAR4PPARAALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679801-A ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-21 US disclosed
US-5242945-A Antiinflammatory AMERICAN HOME PRODUCTS CORPORATION (US) 1993-09-07 US disclosed
EP-0508690-A1 Tetronic and thiotetronic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1992-10-14 EP disclosed