SCHEMBL9129201

SCHEMBL9129201

CCCCCCCCCCCCC(NC(=O)CCCC(=O)NC(CCCCCCCCCCCC)C1=CC(=O)OC1O)C1=CC(=O)OC1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 7/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 2/20 0.39
MAPK1 P28482 1/20 0.39
NOD1 Q9Y239 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
DNM1 Q05193 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ASAH1 Q13510 1/20 0.36
ACER2 Q5QJU3 1/20 0.36
PLA2G4A P47712 1/20 0.36

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
SCHEMBL8985121 0.91 PDCD4 (0.39) PDCD4ALDH1A1
SCHEMBL10430986 0.88 NOD1 (0.48) PDCD4FAAHNOD1
SCHEMBL8985089 0.85 PDCD4 (0.40) PDCD4
SCHEMBL9325018 0.85 PDCD4 (0.40) PDCD4
SCHEMBL9326982 0.84 PDCD4 (0.39) PDCD4
SCHEMBL7296014 0.77 PDCD4 (0.47) PDCD4
SCHEMBL8985087 0.76 ASAH1 (0.53) FAAHASAH1
SCHEMBL9745250 0.76 PDCD4 (0.41) PDCD4
SCHEMBL9326398 0.75 PDCD4 (0.39) PDCD4
SCHEMBL9422969 0.75 PDCD4 (0.42) PDCD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5169963-A Di-(5-hydroxy-2(5H)2-oxo-4-furyl)alkylmethyl-alpha,omega alkanedioates and N,N-bis-(5-hydroxy-2(5H)2-oxo-4-furyl)alkylmethyl-alpha,omega-dialkanoic acid amides as anti-inflammatory agents ALLERGAN, INC. (US) 1992-12-08 US disclosed