SCHEMBL9325019

SCHEMBL9325019

CCCCCCCCCCCCC(OC(=O)C(Cl)(Cl)Cl)C1=CC(=O)OC1O

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 8/20 0.38
NAAA Q02083 1/20 0.35
CNR1 P21554 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
PNLIP P16233 2/20 0.32
GLS2 Q9UI32 1/20 0.31

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
SCHEMBL9672604 0.86 PDCD4 (0.47) PDCD4NAAAGLS2
SCHEMBL14339054 0.86 PDCD4 (0.47) PDCD4NAAAGLS2
SCHEMBL9671381 0.86 PDCD4 (0.47) PDCD4NAAAGLS2
SCHEMBL8985076 0.86 PDCD4 (0.47) PDCD4NAAAGLS2
SCHEMBL7294590 0.86 PDCD4 (0.47) PDCD4NAAAGLS2
SCHEMBL9326904 0.84 LMNA (0.42) PDCD4
Benzene SCHEMBL9328037 0.84 PDCD4 (0.45) PDCD4DAGLAGLS2
SCHEMBL9745643 0.83 PDCD4 (0.38) PDCD4NAAACNR1DAGLA
SCHEMBL9672430 0.83 NAAA (0.40) PDCD4NAAACNR1DAGLAPNLIP
SCHEMBL8985069 0.83 PDCD4 (0.39) PDCD4NAAACNR1DAGLAGLS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5322953-A Antiinflammatory agents; intermediates for 2-furanone compounds ALLERGAN, INC. (US) 1994-06-21 US disclosed
US-5298633-A Silane intermediates ALLERGAN, INC. (US) 1994-03-29 US disclosed
US-5171863-A 2-trialkylsily-4-substituted furan derivatives ALLERGAN, INC. (US) 1992-12-15 US disclosed
EP-0295056-B1 ANTI-INFLAMMATORY FURANONES ALLERGAN, INC (US) 1992-08-05 EP disclosed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP disclosed