SCHEMBL4746563

SCHEMBL4746563

COC(=O)C1CCCN1Cc1ccc(OCc2coc(-c3ccccc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.55
PPARA Q07869 4/20 0.52
PPARG P37231 3/20 0.52
LTA4H P09960 2/20 0.52
CD274 Q9NZQ7 2/20 0.49
PDCD1 Q15116 1/20 0.47
SCN3A Q9NY46 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4744478 0.91 LTA4H (0.55) FFAR1PPARAPPARGLTA4HCD274
SCHEMBL4744672 0.91 FFAR1 (0.58) FFAR1PPARAPPARGCD274PDCD1
SCHEMBL4744667 0.91 FFAR1 (0.58) FFAR1PPARAPPARGCD274PDCD1
SCHEMBL4748486 0.91 POLB (0.56) FFAR1PPARAPPARGLTA4HCD274
SCHEMBL4748393 0.89 KDM4E (0.50) FFAR1PPARAPPARGLTA4HSCN3A
SCHEMBL4748209 0.89 LTA4H (0.52) FFAR1PPARAPPARGLTA4HCD274
SCHEMBL4746717 0.88 CD274 (0.60) FFAR1PPARAPPARGCD274PDCD1
SCHEMBL4743886 0.88 POLB (0.58) FFAR1PPARAPPARGCD274PDCD1
SCHEMBL4787982 0.87 ALDH1A1 (0.54) FFAR1PPARAPPARGCD274MAOA
SCHEMBL4744018 0.85 CD274 (0.51) FFAR1PPARAPPARGCD274PDCD1

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