SCHEMBL4744385

SCHEMBL4744385

O=C(O)C1CCCCN1Cc1ccc(OCCc2coc(-c3ccccc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 16/20 0.54
PDCD1 Q15116 8/20 0.54
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
FFAR1 O14842 1/20 0.48
GAA P10253 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL4748001 0.97 CD274 (0.50) CD274PDCD1PPARGPPARAFFAR1
SCHEMBL4748002 0.97 CD274 (0.50) CD274PDCD1PPARGPPARAFFAR1
SCHEMBL4748209 0.91 LTA4H (0.52) CD274PDCD1PPARGPPARAFFAR1
SCHEMBL4746717 0.91 CD274 (0.60) CD274PDCD1PPARGPPARAFFAR1
SCHEMBL4747925 0.91 CD274 (0.56) CD274PDCD1PPARGPPARA
SCHEMBL4744142 0.90 PPARG (0.52) CD274PDCD1PPARGPPARAFFAR1
SCHEMBL4746710 0.90 CD274 (0.46) CD274PDCD1PPARGPPARAFFAR1
SCHEMBL4746706 0.90 CD274 (0.46) CD274PDCD1PPARGPPARAFFAR1
SCHEMBL4744478 0.89 LTA4H (0.55) CD274PDCD1PPARGPPARAFFAR1
SCHEMBL4744667 0.88 FFAR1 (0.58) CD274PDCD1PPARGPPARAFFAR1

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