SCHEMBL8985089

SCHEMBL8985089

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 8/20 0.40
NAAA Q02083 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.35
EPHX1 P07099 1/20 0.34
GRM2 Q14416 1/20 0.33

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
SCHEMBL9325018 0.85 PDCD4 (0.40) PDCD4NAAAZDHHC7
SCHEMBL9129201 0.85 PDCD4 (0.42) PDCD4
SCHEMBL9326982 0.84 PDCD4 (0.39) PDCD4NAAAEPHX1
SCHEMBL8985121 0.80 PDCD4 (0.39) PDCD4
SCHEMBL10430986 0.79 NOD1 (0.48) PDCD4
SCHEMBL9325205 0.78 PDCD4 (0.41) PDCD4NAAA
SCHEMBL7296014 0.77 PDCD4 (0.47) PDCD4
SCHEMBL9672430 0.77 NAAA (0.40) PDCD4NAAAEPHX1
SCHEMBL9745250 0.76 PDCD4 (0.41) PDCD4
SCHEMBL9326398 0.75 PDCD4 (0.39) PDCD4NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089485-A ANTI-INFLAMMATORY FURANONES ALLERGAN, INC. (US) 1992-02-18 US 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-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-5089485-A ANTI-INFLAMMATORY FURANONES ALLERGAN, INC. (US) 1992-02-18 US disclosed