SCHEMBL4745017

SCHEMBL4745017

O=C(O)C1CCCCN1Cc1cccc(OCc2coc(-c3ccccc3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 15/20 0.62
POLB P06746 1/20 0.54
PPARA Q07869 1/20 0.52
PDCD1 Q15116 7/20 0.51
SPHK1 Q9NYA1 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
FFAR1 O14842 1/20 0.48

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
SCHEMBL4744265 0.97 CD274 (0.59) CD274POLBPPARAPDCD1SPHK1
SCHEMBL4744260 0.97 CD274 (0.59) CD274POLBPPARAPDCD1SPHK1
SCHEMBL4787471 0.93 CD274 (0.59) CD274POLBPPARAPDCD1SPHK1
SCHEMBL4743886 0.92 POLB (0.58) CD274POLBPPARAPDCD1SPHK1
SCHEMBL4747925 0.91 CD274 (0.56) CD274POLBPPARAPDCD1SPHK1
SCHEMBL4744522 0.91 PPARA (0.56) CD274POLBPPARAPDCD1SPHK1
SCHEMBL4746703 0.91 PPARA (0.56) CD274POLBPPARAPDCD1SPHK1
SCHEMBL4746708 0.91 PPARA (0.56) CD274POLBPPARAPDCD1SPHK1
SCHEMBL4746717 0.90 CD274 (0.60) CD274PPARAPDCD1FFAR1
SCHEMBL4748486 0.89 POLB (0.56) CD274POLBPPARASPHK1MEN1

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