SCHEMBL7293103

SCHEMBL7293103

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 3/20 0.40
GLS2 Q9UI32 3/20 0.38
PPARG P37231 7/20 0.37
TRPV1 Q8NER1 1/20 0.36
FAAH O00519 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
SCHEMBL7294647 0.85 GLS2 (0.44) PDCD4GLS2PPARGFAAH
SCHEMBL7293046 0.85 GLS2 (0.44) PDCD4GLS2PPARGFAAH
SCHEMBL7296440 0.76 PDCD4 (0.41) PDCD4
SCHEMBL7301215 0.76 PDCD4 (0.45) PDCD4GLS2TRPV1
SCHEMBL7294186 0.68 TRPV1 (0.35) PDCD4GLS2TRPV1FAAH
SCHEMBL9805289 0.67 TRPV1 (0.56) TRPV1FAAH
SCHEMBL8621126 0.67 ALOX5 (0.44) PDCD4GLS2FAAH
SCHEMBL8616293 0.67 ALOX5 (0.44) PDCD4GLS2FAAH
SCHEMBL9550648 0.66 TRPV1 (0.54) GLS2TRPV1FAAH
SCHEMBL9007930 0.66 TRPV1 (0.50) GLS2TRPV1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5376676-A Process of using anti-inflammatory furanones as selective calcium channel inhibitors ALLERGAN, INC. (US) 1994-12-27 US 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