SCHEMBL4744478

SCHEMBL4744478

COC(=O)C1CCCN1Cc1ccc(OCCc2coc(-c3ccccc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
PPARG P37231 6/20 0.49
PPARA Q07869 4/20 0.49
FFAR1 O14842 1/20 0.46
GAA P10253 2/20 0.44
CD274 Q9NZQ7 3/20 0.44
GRM2 Q14416 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PDCD1 Q15116 1/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
SCN3A Q9NY46 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL4748209 0.97 LTA4H (0.52) LTA4HPPARGPPARAFFAR1GAA
SCHEMBL4747354 0.92 LTA4H (0.48) LTA4HPPARGPPARAFFAR1GAA
SCHEMBL4746563 0.91 FFAR1 (0.55) LTA4HPPARGPPARAFFAR1GAA
SCHEMBL4748001 0.91 CD274 (0.50) LTA4HPPARGPPARAFFAR1GAA
SCHEMBL4748002 0.91 CD274 (0.50) LTA4HPPARGPPARAFFAR1GAA
SCHEMBL4746190 0.90 PPARG (0.51) LTA4HPPARGPPARAGAACD274
SCHEMBL4744385 0.89 CD274 (0.54) PPARGPPARAFFAR1GAACD274
SCHEMBL4746603 0.87 ALDH1A1 (0.52) LTA4HPPARGPPARAGAACD274
SCHEMBL4746710 0.85 CD274 (0.46) LTA4HPPARGPPARAFFAR1GAA
SCHEMBL4746706 0.85 CD274 (0.46) LTA4HPPARGPPARAFFAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed