SCHEMBL11037288

SCHEMBL11037288

CCCCCCCCCCCCCCC(=O)C(c1ccccc1C)c1ccccc1C

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
CES2 O00748 3/20 0.45
CES1 P23141 2/20 0.45
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43

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
SCHEMBL7599990 0.86 P2RX7 (0.48) P2RX7CES2CES1
SCHEMBL477185 0.84 MEN1 (0.53) CES2CES1CYSLTR2CYSLTR1
SCHEMBL1435948 0.78 ASAH1 (0.55) CES2CES1
SCHEMBL29128656 0.78 ASAH1 (0.55) CES2CES1
SCHEMBL28587109 0.77 LMNA (0.50) P2RX7CES2CES1
SCHEMBL27634150 0.76 ASAH1 (0.53) CES2CES1
Heptanoate SCHEMBL6704869 0.74 GPR84 (0.65) P2RX7CES2CES1
Stearic Acid SCHEMBL11803277 0.74 GPR84 (0.65) P2RX7CES2CES1
Behenic Acid SCHEMBL28135720 0.74 GPR84 (0.65) P2RX7CES2CES1
Decanoic Acid SCHEMBL28136495 0.74 GPR84 (0.65) P2RX7CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0016582-B1 ZIEGLER-TYPE CATALYST COMPOSITION EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-10-03 EP claimed
EP-0016581-B1 ZIEGLER TYPE CATALYST COMPOSITION EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-08-08 EP claimed
EP-0015763-B1 ZIEGLER TYPE CATALYST SYSTEM EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-05-16 EP claimed
EP-0035889-B1 ALKYL-METAL COCATALYST EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-05-02 EP claimed