SCHEMBL4732889

SCHEMBL4732889

O=C(O)C=CC(O)CCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
CMKLR1 Q99788 1/20 0.47
FPR2 P25090 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALOX5 P09917 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
PPARG P37231 2/20 0.42
GPR132 Q9UNW8 1/20 0.42
OXER1 Q8TDS5 1/20 0.42
SLC22A6 Q4U2R8 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
SCHEMBL4732887 1.00 ACHE (0.52) ACHEBACE1CMKLR1FPR2NFKB1
SCHEMBL1376304 0.92 PPARG (0.51) ACHEBACE1NFKB1PPARGGPR132
SCHEMBL1376307 0.92 PPARG (0.51) ACHEBACE1NFKB1PPARGGPR132
Adipic Acid SCHEMBL6760249 0.85 FFAR1 (0.55) ACHEBACE1PPARGGPR132
Glutarate SCHEMBL11026421 0.83 ACHE (0.53) ACHEBACE1FPR2NFKB1NFKB2
SCHEMBL2763308 0.83 ACHE (0.52) ACHEBACE1CMKLR1MAPTPPARG
SCHEMBL8828842 0.81 ACHE (0.76) ACHEBACE1FPR2NFKB1NFKB2
SCHEMBL8090945 0.81 ACHE (0.76) ACHEBACE1FPR2NFKB1NFKB2
SCHEMBL4745520 0.79 ACHE (0.49) ACHEBACE1MAPTPPARGGPR132
SCHEMBL4760946 0.79 ACHE (0.53) ACHEBACE1FPR2NFKB1NFKB2

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
US-20080187511-A1 Comprises phostphatidylserine and oil-based carrier; for topical or intratumoral administration; aminophospholipid translocase inhibitors; transnitrosylating agents; chemokines; cytokines; Toll-like receptor ligands; dendritic cell differentiation factors; neoplasm UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH 2008-08-07 US disclosed
WO-2008052126-A2 OINTMENT COMPRISING PHOSPHATIDYLSERINE AS ACTIVE AGENT FOR CANCER TREATMENT UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-05-02 WO disclosed