SCHEMBL8921617

SCHEMBL8921617

CCCCCCOc1ccc(OCCCCCC(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 10/20 0.76
TP53 P04637 1/20 0.70
TSHR P16473 1/20 0.70
GAA P10253 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
RARB P10826 3/20 0.64
NR5A1 Q13285 1/20 0.62

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
Dodecanoate SCHEMBL28099951 0.93 PLA2G4B (0.68) PLA2G4BTP53TSHRGAAL3MBTL1
Sebacic Acid SCHEMBL28178734 0.92 TP53 (0.85) PLA2G4BTP53TSHRRARB
SCHEMBL11845832 0.91 S1PR1 (0.67) PLA2G4BTP53TSHRGAAL3MBTL1
SCHEMBL9075091 0.91 THRA (0.68) PLA2G4BTP53TSHRL3MBTL1RARB
SCHEMBL2185966 0.91 S1PR1 (0.67) PLA2G4BTP53TSHRGAAL3MBTL1
SCHEMBL2185272 0.91 S1PR1 (0.67) PLA2G4BTP53TSHRGAAL3MBTL1
SCHEMBL9663932 0.91 S1PR1 (0.67) PLA2G4BTP53TSHRGAAL3MBTL1
SCHEMBL29089242 0.91 PLA2G4B (0.68) PLA2G4BTP53TSHRGAAL3MBTL1
SCHEMBL29141429 0.91 PPARA (0.71) PLA2G4BGAAL3MBTL1
SCHEMBL31448424 0.91 PPARA (0.71) PLA2G4BGAAL3MBTL1

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