SCHEMBL7294647

SCHEMBL7294647

CCCCCCCCCCCCC(OC(C)=O)C1=CC(=O)OC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLS2 Q9UI32 3/20 0.44
PDCD4 Q53EL6 3/20 0.43
ALOX5 P09917 1/20 0.41
PPARG P37231 4/20 0.40
FAAH O00519 2/20 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
SCHEMBL7293046 1.00 GLS2 (0.44) GLS2PDCD4ALOX5PPARGFAAH
SCHEMBL7293103 0.85 PDCD4 (0.40) GLS2PDCD4PPARGFAAH
SCHEMBL7296440 0.80 PDCD4 (0.41) PDCD4
SCHEMBL8621126 0.78 ALOX5 (0.44) GLS2PDCD4ALOX5FAAH
SCHEMBL8616293 0.78 ALOX5 (0.44) GLS2PDCD4ALOX5FAAH
SCHEMBL9422785 0.78 CTSK (0.45)
SCHEMBL9422783 0.78 CTSK (0.45)
SCHEMBL7303157 0.77 ALDH1A1 (0.36) PDCD4
SCHEMBL8745838 0.75 ALOX5 (0.40) GLS2PDCD4ALOX5FAAH
SCHEMBL8985076 0.74 PDCD4 (0.47) GLS2PDCD4ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045564-A Calcium channel antagonists ALLERGAN, INC. (US) 1991-09-03 US claimed
EP-0372940-A2 Anti-inflammatory 2-furanones ALLERGAN, INC (US) 1990-06-13 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-5376676-A Process of using anti-inflammatory furanones as selective calcium channel inhibitors ALLERGAN, INC. (US) 1994-12-27 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-5045564-A Calcium channel antagonists ALLERGAN, INC. (US) 1991-09-03 US disclosed
EP-0372940-A2 Anti-inflammatory 2-furanones ALLERGAN, INC (US) 1990-06-13 EP disclosed