SCHEMBL8985076

SCHEMBL8985076

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

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 7/20 0.47
GLS2 Q9UI32 3/20 0.40
ALOX5 P09917 1/20 0.37
NAAA Q02083 1/20 0.37

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
SCHEMBL7294590 1.00 PDCD4 (0.47) PDCD4GLS2ALOX5NAAA
SCHEMBL9672604 1.00 PDCD4 (0.47) PDCD4GLS2ALOX5NAAA
SCHEMBL14339054 1.00 PDCD4 (0.47) PDCD4GLS2ALOX5NAAA
SCHEMBL9671381 1.00 PDCD4 (0.47) PDCD4GLS2ALOX5NAAA
Benzene SCHEMBL9328037 0.97 PDCD4 (0.45) PDCD4GLS2ALOX5
SCHEMBL9672394 0.95 PDCD4 (0.41) PDCD4GLS2ALOX5
SCHEMBL9671761 0.94 PDCD4 (0.43) PDCD4GLS2ALOX5NAAA
SCHEMBL9670188 0.90 PDCD4 (0.41) PDCD4
SCHEMBL9672839 0.90 ALOX5 (0.47) PDCD4GLS2ALOX5
SCHEMBL9671148 0.90 ALOX5 (0.47) PDCD4GLS2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295056-B1 ANTI-INFLAMMATORY FURANONES ALLERGAN, INC (US) 1992-08-05 EP claimed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US claimed
CN-1031839-A ANTI-INFLAMMATORY FURANONES ALLERGAN INC (US) 1989-03-22 CN claimed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP claimed
US-5541221-A Pharmaceutical compositions and method for administering 3 and 4-substituted 2(5H)-furanones to a mammal for inhibiting bone loss ALLERGAN (US) 1996-07-30 US disclosed
EP-0637240-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3 AND 4-SUBSTITUTED 2(5H)-FURANONES FOR INHIBITING BONE LOSS ALLERGAN, INC. (US) 1995-02-08 EP disclosed
US-5387606-A Pharmaceutical compositions and method for administering 3 and 4-substituted 2(5H)-furanones to a mammal for inhibiting bone loss ALLERGAN, INC. (US) 1995-02-07 US disclosed
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-5268387-A Containing ester or carbamate group ALLERGAN, INC. (US) 1993-12-07 US disclosed
WO-1993021915-A1 PHARMACEUTICAL COMPOSITIONS FOR INHIBITING BONE LOSS CONTAINING 3 AND 4-SUBSTITUTED 2(5H)-FURANONES ALLERGAN, INC. (US) 1993-11-11 WO 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
US-5082954-A Intermediates and processes for preparing 4-substituted 2-5(H)-furanones as anti-inflammatory agents ALLERGAN, INC. (US) 1992-01-21 US disclosed
CN-1031839-A ANTI-INFLAMMATORY FURANONES ALLERGAN INC (US) 1989-03-22 CN disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP disclosed